N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-4-phenoxybenzamide

C28H30ClN3O2 — CID 18733973

IUPACN-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-4-phenoxybenzamide
SMILESCCCn1c(CN(CC(C)C)C(=O)c2ccc(Oc3ccccc3)cc2)nc2ccc(Cl)cc21
InChIInChI=1S/C28H30ClN3O2/c1-4-16-32-26-17-22(29)12-15-25(26)30-27(32)19-31(18-20(2)3)28(33)21-10-13-24(14-11-21)34-23-8-6-5-7-9-23/h5-15,17,20H,4,16,18-19H2,1-3H3
InChIKeySYCAWKBSFJIONA-UHFFFAOYSA-N
MW476.02 g/mol
LogP7.19
Rot. Bonds9

About N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-4-phenoxybenzamide

N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-4-phenoxybenzamide (PubChem CID 18733973) has the molecular formula C28H30ClN3O2 and a molecular weight of 476.02 g/mol. Its IUPAC name is N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-4-phenoxybenzamide.

Molecular Properties

Compound NameN-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-4-phenoxybenzamide
PubChem CID18733973
Molecular FormulaC28H30ClN3O2
Molecular Weight476.02 g/mol
Exact Mass475.20
IUPAC NameN-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-4-phenoxybenzamide
SMILESCCCn1c(CN(CC(C)C)C(=O)c2ccc(Oc3ccccc3)cc2)nc2ccc(Cl)cc21
InChIInChI=1S/C28H30ClN3O2/c1-4-16-32-26-17-22(29)12-15-25(26)30-27(32)19-31(18-20(2)3)28(33)21-10-13-24(14-11-21)34-23-8-6-5-7-9-23/h5-15,17,20H,4,16,18-19H2,1-3H3
InChIKeySYCAWKBSFJIONA-UHFFFAOYSA-N
XLogP7.19
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.02
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-4-phenoxybenzamide with MolForge

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Related Compounds

Benzoimidazol-1-YL-(4-methoxy-phenyl)-methanone
CID 710646
Mchb-1
CID 44561533
2-(4-(4-chlorophenoxy)phenyl)-1H-benzimidazole-5-carboxamide
CID 9969021
2-(4-{[1-(4-Chlorobenzyl)piperidin-4-Yl]methoxy}phenyl)-1h-Benzimidazole-5-Carboxamide
CID 11518511
2-(4-ethoxybenzyl)-1-(cyclopentylmethyl)-N,N-diethyl-1H-benzo[d]imidazole-5-carboxamide
CID 24863434
2-(4-ethoxybenzyl)-N,N-diethyl-1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-benzo[d]imidazole-5-carboxamide
CID 44561005
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-methoxybenzamide
CID 5343894
(R)-2-(4-ethoxybenzyl)-N,N-diethyl-1-((1-methylpiperidin-2-yl)methyl)-1H-benzo[d]imidazole-5-carboxamide
CID 9825614
2-[4-(3-Chloro-4-methyl-phenoxy)-phenyl]-1H-benzoimidazole-5-carboxylic acid amide
CID 10177646
2-[4-(3-Chloro-phenoxy)-phenyl]-1H-benzoimidazole-5-carboxylic acid amide
CID 10292206
N,N-diisopentyl-2-(4-methoxyphenyl)-3-(3-(piperidin-1-yl)propyl)-3H-benzo[d]imidazole-5-carboxamide
CID 11398483
2-(4-(2-(1-(4-chlorobenzyl)piperidin-4-yl)ethoxy)phenyl)-1H-benzo[d]imidazole-5-carboxamide
CID 11511483

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-4-phenoxybenzamide?
The IUPAC name of N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-4-phenoxybenzamide (CID 18733973) is N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-4-phenoxybenzamide.
What is the SMILES notation for N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-4-phenoxybenzamide?
The canonical SMILES for N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-4-phenoxybenzamide is CCCn1c(CN(CC(C)C)C(=O)c2ccc(Oc3ccccc3)cc2)nc2ccc(Cl)cc21.
What is the InChIKey of N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-4-phenoxybenzamide?
The InChIKey is SYCAWKBSFJIONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30ClN3O2/c1-4-16-32-26-17-22(29)12-15-25(26)30-27(32)19-31(18-20(2)3)28(33)21-10-13-24(14-11-21)34-23-8-6-5-7-9-23/h5-15,17,20H,4,16,18-19H2,1-3H3.
What are the key properties of N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-4-phenoxybenzamide?
N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-4-phenoxybenzamide has a molecular weight of 476.02 g/mol, XLogP of 7.19, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-N-(2-methylpropyl)-4-phenoxybenzamide is sourced from PubChem (CID 18733973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).