3-(1H-benzimidazol-2-yl)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide

C16H23N3O2 — CID 61039048

IUPAC3-(1H-benzimidazol-2-yl)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide
SMILESCC(C)N(CCCO)C(=O)CCc1nc2ccccc2[nH]1
InChIInChI=1S/C16H23N3O2/c1-12(2)19(10-5-11-20)16(21)9-8-15-17-13-6-3-4-7-14(13)18-15/h3-4,6-7,12,20H,5,8-11H2,1-2H3,(H,17,18)
InChIKeyMQMGLWMGPIDBIT-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.11
Rot. Bonds7

About 3-(1H-benzimidazol-2-yl)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide

3-(1H-benzimidazol-2-yl)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide (PubChem CID 61039048) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide
PubChem CID61039048
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3-(1H-benzimidazol-2-yl)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide
SMILESCC(C)N(CCCO)C(=O)CCc1nc2ccccc2[nH]1
InChIInChI=1S/C16H23N3O2/c1-12(2)19(10-5-11-20)16(21)9-8-15-17-13-6-3-4-7-14(13)18-15/h3-4,6-7,12,20H,5,8-11H2,1-2H3,(H,17,18)
InChIKeyMQMGLWMGPIDBIT-UHFFFAOYSA-N
XLogP2.11
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(1H-benzimidazol-2-yl)propanoyl-methylamino]propanoic acid
CID 60988746
3-(1H-benzimidazol-2-yl)-N-[(2R)-2-hydroxypropyl]propanamide
CID 83031876
3-(1H-benzimidazol-2-yl)-N-methyl-N-[3-(2-methylphenoxy)propyl]propanamide
CID 55898321
N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpropanamide
CID 2140210
2-[2-(1H-benzimidazol-2-yl)ethylsulfonyl]propanoic acid
CID 82337261
4-amino-N-[3-(1H-benzimidazol-2-yl)propyl]pentanamide
CID 120564390
tetrakis(2-[4-(1H-benzimidazol-2-yl)butyl]-1H-benzimidazole);tetrakis(cobalt(2+));ethanol;octaacetate
CID 139070067
(2S)-2-[3-(1H-benzimidazol-2-yl)propanoylamino]-3-methylbutanoic acid
CID 61136264
methyl 6-(1H-benzimidazol-2-yl)hexanoate
CID 11265100
4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]pentanamide;dihydrochloride
CID 120564313
2-[3-(1H-benzimidazol-2-yl)propanoylamino]-3-hydroxybutanoic acid
CID 43353591
4-(1H-benzimidazol-2-yl)-N-(6-methylheptan-2-yl)butanamide
CID 46411057

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide (CID 61039048) is 3-(1H-benzimidazol-2-yl)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide is CC(C)N(CCCO)C(=O)CCc1nc2ccccc2[nH]1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide?
The InChIKey is MQMGLWMGPIDBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12(2)19(10-5-11-20)16(21)9-8-15-17-13-6-3-4-7-14(13)18-15/h3-4,6-7,12,20H,5,8-11H2,1-2H3,(H,17,18).
What are the key properties of 3-(1H-benzimidazol-2-yl)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide?
3-(1H-benzimidazol-2-yl)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide has a molecular weight of 289.38 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 61039048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).