4-(1H-benzimidazol-2-yl)-N-(6-methylheptan-2-yl)butanamide

C19H29N3O — CID 46411057

IUPAC4-(1H-benzimidazol-2-yl)-N-(6-methylheptan-2-yl)butanamide
SMILESCC(C)CCCC(C)NC(=O)CCCc1nc2ccccc2[nH]1
InChIInChI=1S/C19H29N3O/c1-14(2)8-6-9-15(3)20-19(23)13-7-12-18-21-16-10-4-5-11-17(16)22-18/h4-5,10-11,14-15H,6-9,12-13H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyIJUWOEWVRDTGDG-UHFFFAOYSA-N
MW315.46 g/mol
LogP4.22
Rot. Bonds9

About 4-(1H-benzimidazol-2-yl)-N-(6-methylheptan-2-yl)butanamide

4-(1H-benzimidazol-2-yl)-N-(6-methylheptan-2-yl)butanamide (PubChem CID 46411057) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)-N-(6-methylheptan-2-yl)butanamide.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-yl)-N-(6-methylheptan-2-yl)butanamide
PubChem CID46411057
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name4-(1H-benzimidazol-2-yl)-N-(6-methylheptan-2-yl)butanamide
SMILESCC(C)CCCC(C)NC(=O)CCCc1nc2ccccc2[nH]1
InChIInChI=1S/C19H29N3O/c1-14(2)8-6-9-15(3)20-19(23)13-7-12-18-21-16-10-4-5-11-17(16)22-18/h4-5,10-11,14-15H,6-9,12-13H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyIJUWOEWVRDTGDG-UHFFFAOYSA-N
XLogP4.22
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137024790
4-amino-N-[3-(1H-benzimidazol-2-yl)propyl]pentanamide
CID 120564390
(2S)-2-[3-(1H-benzimidazol-2-yl)propanoylamino]-3-methylbutanoic acid
CID 61136264
N-[3-(1H-benzimidazol-2-yl)propyl]-3-methylbutan-1-amine
CID 83961836
2-[3-(1H-benzimidazol-2-yl)propanoylamino]-3-hydroxybutanoic acid
CID 43353591
N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpropanamide
CID 2140210
(4S)-5-(1H-benzimidazol-2-yl)-N,4-dimethylpentanamide
CID 90230596
3-(1H-benzimidazol-2-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 103725840
3-(1H-benzimidazol-2-yl)-N-(1-pyridin-2-ylethyl)propanamide
CID 43045567
methyl 6-(1H-benzimidazol-2-yl)hexanoate
CID 11265100
3-(1H-benzimidazol-2-yl)-N-[(2R)-2-hydroxypropyl]propanamide
CID 83031876
4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]pentanamide;dihydrochloride
CID 120564313

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-yl)-N-(6-methylheptan-2-yl)butanamide?
The IUPAC name of 4-(1H-benzimidazol-2-yl)-N-(6-methylheptan-2-yl)butanamide (CID 46411057) is 4-(1H-benzimidazol-2-yl)-N-(6-methylheptan-2-yl)butanamide.
What is the SMILES notation for 4-(1H-benzimidazol-2-yl)-N-(6-methylheptan-2-yl)butanamide?
The canonical SMILES for 4-(1H-benzimidazol-2-yl)-N-(6-methylheptan-2-yl)butanamide is CC(C)CCCC(C)NC(=O)CCCc1nc2ccccc2[nH]1.
What is the InChIKey of 4-(1H-benzimidazol-2-yl)-N-(6-methylheptan-2-yl)butanamide?
The InChIKey is IJUWOEWVRDTGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-14(2)8-6-9-15(3)20-19(23)13-7-12-18-21-16-10-4-5-11-17(16)22-18/h4-5,10-11,14-15H,6-9,12-13H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of 4-(1H-benzimidazol-2-yl)-N-(6-methylheptan-2-yl)butanamide?
4-(1H-benzimidazol-2-yl)-N-(6-methylheptan-2-yl)butanamide has a molecular weight of 315.46 g/mol, XLogP of 4.22, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-yl)-N-(6-methylheptan-2-yl)butanamide is sourced from PubChem (CID 46411057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).