(4S)-5-(1H-benzimidazol-2-yl)-N,4-dimethylpentanamide

C14H19N3O — CID 90230596

IUPAC(4S)-5-(1H-benzimidazol-2-yl)-N,4-dimethylpentanamide
SMILESCNC(=O)CC[C@H](C)Cc1nc2ccccc2[nH]1
InChIInChI=1S/C14H19N3O/c1-10(7-8-14(18)15-2)9-13-16-11-5-3-4-6-12(11)17-13/h3-6,10H,7-9H2,1-2H3,(H,15,18)(H,16,17)/t10-/m0/s1
InChIKeyVGTMLRFZVVVPBV-JTQLQIEISA-N
MW245.33 g/mol
LogP2.27
Rot. Bonds5

About (4S)-5-(1H-benzimidazol-2-yl)-N,4-dimethylpentanamide

(4S)-5-(1H-benzimidazol-2-yl)-N,4-dimethylpentanamide (PubChem CID 90230596) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is (4S)-5-(1H-benzimidazol-2-yl)-N,4-dimethylpentanamide.

Molecular Properties

Compound Name(4S)-5-(1H-benzimidazol-2-yl)-N,4-dimethylpentanamide
PubChem CID90230596
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name(4S)-5-(1H-benzimidazol-2-yl)-N,4-dimethylpentanamide
SMILESCNC(=O)CC[C@H](C)Cc1nc2ccccc2[nH]1
InChIInChI=1S/C14H19N3O/c1-10(7-8-14(18)15-2)9-13-16-11-5-3-4-6-12(11)17-13/h3-6,10H,7-9H2,1-2H3,(H,15,18)(H,16,17)/t10-/m0/s1
InChIKeyVGTMLRFZVVVPBV-JTQLQIEISA-N
XLogP2.27
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1H-benzimidazol-2-yl)-3-methylbutanoic acid
CID 12789249
4-(1H-benzimidazol-2-yl)-N-(6-methylheptan-2-yl)butanamide
CID 46411057
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
N-[1,2-bis(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide
CID 43889855
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
2-(1H-benzimidazol-2-yl)ethyl-trihydroxyphosphanium
CID 70879958
2-[3-(1H-benzimidazol-2-yl)propanoylamino]-3-hydroxybutanoic acid
CID 43353591
3-(1H-benzimidazol-2-yl)-N-[(2R)-2-phenylpropyl]propanamide
CID 35955679
[(2R)-4-(1H-benzimidazol-2-yl)-1-methoxy-1-oxobutan-2-yl]azanium
CID 6923317
N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpropanamide
CID 2140210

Frequently Asked Questions

What is the IUPAC name of (4S)-5-(1H-benzimidazol-2-yl)-N,4-dimethylpentanamide?
The IUPAC name of (4S)-5-(1H-benzimidazol-2-yl)-N,4-dimethylpentanamide (CID 90230596) is (4S)-5-(1H-benzimidazol-2-yl)-N,4-dimethylpentanamide.
What is the SMILES notation for (4S)-5-(1H-benzimidazol-2-yl)-N,4-dimethylpentanamide?
The canonical SMILES for (4S)-5-(1H-benzimidazol-2-yl)-N,4-dimethylpentanamide is CNC(=O)CC[C@H](C)Cc1nc2ccccc2[nH]1.
What is the InChIKey of (4S)-5-(1H-benzimidazol-2-yl)-N,4-dimethylpentanamide?
The InChIKey is VGTMLRFZVVVPBV-JTQLQIEISA-N. The full InChI is InChI=1S/C14H19N3O/c1-10(7-8-14(18)15-2)9-13-16-11-5-3-4-6-12(11)17-13/h3-6,10H,7-9H2,1-2H3,(H,15,18)(H,16,17)/t10-/m0/s1.
What are the key properties of (4S)-5-(1H-benzimidazol-2-yl)-N,4-dimethylpentanamide?
(4S)-5-(1H-benzimidazol-2-yl)-N,4-dimethylpentanamide has a molecular weight of 245.33 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-(1H-benzimidazol-2-yl)-N,4-dimethylpentanamide is sourced from PubChem (CID 90230596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).