N-butyl-3-chloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-4-methoxybenzamide;N-butyl-5-chloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-2-methoxybenzamide;3-chloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-4-methoxy-N-(3-methylbutyl)benzamide;3-chloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-4-methoxy-N-(2-methylpropyl)benzamide — IUPAC name, SMILES, InChIKey & properties

Name: N-butyl-3-chloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-4-methoxybenzamide;N-butyl-5-chloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-2-methoxybenzamide;3-chloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-4-methoxy-N-(3-methylbutyl)benzamide;3-chloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-4-methoxy-N-(2-methylpropyl)benzamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About N-butyl-3-chloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-4-methoxybenzamide;N-butyl-5-chloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-2-methoxybenzamide;3-chloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-4-methoxy-N-(3-methylbutyl)benzamide;3-chloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-4-methoxy-N-(2-methylpropyl)benzamide

N-butyl-3-chloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-4-methoxybenzamide;N-butyl-5-chloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-2-methoxybenzamide;3-chloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-4-methoxy-N-(3-methylbutyl)benzamide;3-chloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-4-methoxy-N-(2-methylpropyl)benzamide (PubChem CID 159465415) has the molecular formula C101H118Cl4F4N12O8 and a molecular weight of 1845.93 g/mol. Its IUPAC name is N-butyl-3-chloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-4-methoxybenzamide;N-butyl-5-chloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-2-methoxybenzamide;3-chloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-4-methoxy-N-(3-methylbutyl)benzamide;3-chloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-4-methoxy-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name	N-butyl-3-chloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-4-methoxybenzamide;N-butyl-5-chloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-2-methoxybenzamide;3-chloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-4-methoxy-N-(3-methylbutyl)benzamide;3-chloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-4-methoxy-N-(2-methylpropyl)benzamide
PubChem CID	159465415
Molecular Formula	C101H118Cl4F4N12O8
Molecular Weight	1845.93 g/mol
Exact Mass	1842.79
IUPAC Name	N-butyl-3-chloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-4-methoxybenzamide;N-butyl-5-chloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-2-methoxybenzamide;3-chloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-4-methoxy-N-(3-methylbutyl)benzamide;3-chloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-4-methoxy-N-(2-methylpropyl)benzamide
SMILES	CCCCN(Cc1nc2cc(F)ccc2n1C1CCCC1)C(=O)c1cc(Cl)ccc1OC.CCCCN(Cc1nc2cc(F)ccc2n1C1CCCC1)C(=O)c1ccc(OC)c(Cl)c1.COc1ccc(C(=O)N(CCC(C)C)Cc2nc3cc(F)ccc3n2C2CCCC2)cc1Cl.COc1ccc(C(=O)N(Cc2nc3cc(F)ccc3n2C2CCCC2)CC(C)C)cc1Cl
InChI	InChI=1S/C26H31ClFN3O2.3C25H29ClFN3O2/c1-17(2)12-13-30(26(32)18-8-11-24(33-3)21(27)14-18)16-25-29-22-15-19(28)9-10-23(22)31(25)20-6-4-5-7-20;1-16(2)14-29(25(31)17-8-11-23(32-3)20(26)12-17)15-24-28-21-13-18(27)9-10-22(21)30(24)19-6-4-5-7-19;1-3-4-13-29(25(31)20-14-17(26)9-12-23(20)32-2)16-24-28-21-15-18(27)10-11-22(21)30(24)19-7-5-6-8-19;1-3-4-13-29(25(31)17-9-12-23(32-2)20(26)14-17)16-24-28-21-15-18(27)10-11-22(21)30(24)19-7-5-6-8-19/h8-11,14-15,17,20H,4-7,12-13,16H2,1-3H3;8-13,16,19H,4-7,14-15H2,1-3H3;2*9-12,14-15,19H,3-8,13,16H2,1-2H3
InChIKey	LVCQRSKKRNFNGA-UHFFFAOYSA-N
XLogP	25.68
TPSA	189.44 Å²
H-Bond Donors
H-Bond Acceptors	16
Rotatable Bonds	31
Heavy Atoms	129
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1845.93
LogP ≤ 5	25.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Analyze N-butyl-3-chloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-4-methoxybenzamide;N-butyl-5-chloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-2-methoxybenzamide;3-chloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-4-methoxy-N-(3-methylbutyl)benzamide;3-chloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-4-methoxy-N-(2-methylpropyl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-butyl-3-chloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-4-methoxybenzamide;N-butyl-5-chloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-2-methoxybenzamide;3-chloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-4-methoxy-N-(3-methylbutyl)benzamide;3-chloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-4-methoxy-N-(2-methylpropyl)benzamide?

The IUPAC name of N-butyl-3-chloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-4-methoxybenzamide;N-butyl-5-chloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-2-methoxybenzamide;3-chloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-4-methoxy-N-(3-methylbutyl)benzamide;3-chloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-4-methoxy-N-(2-methylpropyl)benzamide (CID 159465415) is N-butyl-3-chloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-4-methoxybenzamide;N-butyl-5-chloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-2-methoxybenzamide;3-chloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-4-methoxy-N-(3-methylbutyl)benzamide;3-chloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-4-methoxy-N-(2-methylpropyl)benzamide.

What is the SMILES notation for N-butyl-3-chloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-4-methoxybenzamide;N-butyl-5-chloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-2-methoxybenzamide;3-chloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-4-methoxy-N-(3-methylbutyl)benzamide;3-chloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-4-methoxy-N-(2-methylpropyl)benzamide?

The canonical SMILES for N-butyl-3-chloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-4-methoxybenzamide;N-butyl-5-chloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-2-methoxybenzamide;3-chloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-4-methoxy-N-(3-methylbutyl)benzamide;3-chloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-4-methoxy-N-(2-methylpropyl)benzamide is CCCCN(Cc1nc2cc(F)ccc2n1C1CCCC1)C(=O)c1cc(Cl)ccc1OC.CCCCN(Cc1nc2cc(F)ccc2n1C1CCCC1)C(=O)c1ccc(OC)c(Cl)c1.COc1ccc(C(=O)N(CCC(C)C)Cc2nc3cc(F)ccc3n2C2CCCC2)cc1Cl.COc1ccc(C(=O)N(Cc2nc3cc(F)ccc3n2C2CCCC2)CC(C)C)cc1Cl.

What is the InChIKey of N-butyl-3-chloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-4-methoxybenzamide;N-butyl-5-chloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-2-methoxybenzamide;3-chloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-4-methoxy-N-(3-methylbutyl)benzamide;3-chloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-4-methoxy-N-(2-methylpropyl)benzamide?

The InChIKey is LVCQRSKKRNFNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31ClFN3O2.3C25H29ClFN3O2/c1-17(2)12-13-30(26(32)18-8-11-24(33-3)21(27)14-18)16-25-29-22-15-19(28)9-10-23(22)31(25)20-6-4-5-7-20;1-16(2)14-29(25(31)17-8-11-23(32-3)20(26)12-17)15-24-28-21-13-18(27)9-10-22(21)30(24)19-6-4-5-7-19;1-3-4-13-29(25(31)20-14-17(26)9-12-23(20)32-2)16-24-28-21-15-18(27)10-11-22(21)30(24)19-7-5-6-8-19;1-3-4-13-29(25(31)17-9-12-23(32-2)20(26)14-17)16-24-28-21-15-18(27)10-11-22(21)30(24)19-7-5-6-8-19/h8-11,14-15,17,20H,4-7,12-13,16H2,1-3H3;8-13,16,19H,4-7,14-15H2,1-3H3;2*9-12,14-15,19H,3-8,13,16H2,1-2H3.

What are the key properties of N-butyl-3-chloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-4-methoxybenzamide;N-butyl-5-chloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-2-methoxybenzamide;3-chloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-4-methoxy-N-(3-methylbutyl)benzamide;3-chloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-4-methoxy-N-(2-methylpropyl)benzamide?

Where does this data come from?

All data for N-butyl-3-chloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-4-methoxybenzamide;N-butyl-5-chloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-2-methoxybenzamide;3-chloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-4-methoxy-N-(3-methylbutyl)benzamide;3-chloro-N-[(1-cyclopentyl-5-fluorobenzimidazol-2-yl)methyl]-4-methoxy-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 159465415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).