N-(1H-benzimidazol-2-ylmethyl)-2-cyclopentyloxy-N-methylbutanamide

C18H25N3O2 — CID 56789407

IUPACN-(1H-benzimidazol-2-ylmethyl)-2-cyclopentyloxy-N-methylbutanamide
SMILESCCC(OC1CCCC1)C(=O)N(C)Cc1nc2ccccc2[nH]1
InChIInChI=1S/C18H25N3O2/c1-3-16(23-13-8-4-5-9-13)18(22)21(2)12-17-19-14-10-6-7-11-15(14)20-17/h6-7,10-11,13,16H,3-5,8-9,12H2,1-2H3,(H,19,20)
InChIKeyNVFMFAQNKMCHDZ-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.26
Rot. Bonds6

About N-(1H-benzimidazol-2-ylmethyl)-2-cyclopentyloxy-N-methylbutanamide

N-(1H-benzimidazol-2-ylmethyl)-2-cyclopentyloxy-N-methylbutanamide (PubChem CID 56789407) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-2-cyclopentyloxy-N-methylbutanamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-2-cyclopentyloxy-N-methylbutanamide
PubChem CID56789407
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-2-cyclopentyloxy-N-methylbutanamide
SMILESCCC(OC1CCCC1)C(=O)N(C)Cc1nc2ccccc2[nH]1
InChIInChI=1S/C18H25N3O2/c1-3-16(23-13-8-4-5-9-13)18(22)21(2)12-17-19-14-10-6-7-11-15(14)20-17/h6-7,10-11,13,16H,3-5,8-9,12H2,1-2H3,(H,19,20)
InChIKeyNVFMFAQNKMCHDZ-UHFFFAOYSA-N
XLogP3.26
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-N-methylcyclohexanecarboxamide
CID 36516588
1-(1H-benzimidazol-2-ylmethyl)-3-cyclopentyl-1-methylurea
CID 38220835
N-(1H-benzimidazol-2-ylmethyl)-N-methylpiperidine-2-carboxamide
CID 110462326
2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(1H-benzimidazol-2-ylmethyl)-N-methylacetamide
CID 92854492
2-[1H-benzimidazol-2-ylmethyl(methyl)amino]cyclohexan-1-ol
CID 102636442
N-(1H-benzimidazol-2-ylmethyl)-2-methoxy-N-methylacetamide
CID 47159982
N-(1H-benzimidazol-2-ylmethyl)-N,2,2-trimethylcyclopropane-1-carboxamide
CID 131949916
N-(1H-benzimidazol-2-ylmethyl)-N-methyl-1H-imidazole-5-carboxamide
CID 86283854
4-N-(1H-benzimidazol-2-ylmethyl)-1-N,1-N-diethyl-4-N-methylpiperidine-1,4-dicarboxamide
CID 55718643
2-N,3-N-bis(1H-benzimidazol-2-ylmethyl)-2-N,3-N-dimethyl-1,4-diphenylbutane-2,3-diamine
CID 175787305
N-(1H-benzimidazol-2-ylmethyl)-N,4-dimethylbenzamide
CID 36516617
(2S)-N-(1H-benzimidazol-2-ylmethyl)-N-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 94820858

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-cyclopentyloxy-N-methylbutanamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-cyclopentyloxy-N-methylbutanamide (CID 56789407) is N-(1H-benzimidazol-2-ylmethyl)-2-cyclopentyloxy-N-methylbutanamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-2-cyclopentyloxy-N-methylbutanamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-2-cyclopentyloxy-N-methylbutanamide is CCC(OC1CCCC1)C(=O)N(C)Cc1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-2-cyclopentyloxy-N-methylbutanamide?
The InChIKey is NVFMFAQNKMCHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-3-16(23-13-8-4-5-9-13)18(22)21(2)12-17-19-14-10-6-7-11-15(14)20-17/h6-7,10-11,13,16H,3-5,8-9,12H2,1-2H3,(H,19,20).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-2-cyclopentyloxy-N-methylbutanamide?
N-(1H-benzimidazol-2-ylmethyl)-2-cyclopentyloxy-N-methylbutanamide has a molecular weight of 315.42 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-2-cyclopentyloxy-N-methylbutanamide is sourced from PubChem (CID 56789407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).