N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]butanamide

C16H23N3O — CID 751172

IUPACN-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]butanamide
SMILESCCCC(=O)N[C@H](C)c1nc2ccccc2n1C(C)C
InChIInChI=1S/C16H23N3O/c1-5-8-15(20)17-12(4)16-18-13-9-6-7-10-14(13)19(16)11(2)3/h6-7,9-12H,5,8H2,1-4H3,(H,17,20)/t12-/m1/s1
InChIKeyKOUQIWZCZXNEEP-GFCCVEGCSA-N
MW273.38 g/mol
LogP3.59
Rot. Bonds5

About N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]butanamide

N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]butanamide (PubChem CID 751172) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]butanamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]butanamide
PubChem CID751172
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]butanamide
SMILESCCCC(=O)N[C@H](C)c1nc2ccccc2n1C(C)C
InChIInChI=1S/C16H23N3O/c1-5-8-15(20)17-12(4)16-18-13-9-6-7-10-14(13)19(16)11(2)3/h6-7,9-12H,5,8H2,1-4H3,(H,17,20)/t12-/m1/s1
InChIKeyKOUQIWZCZXNEEP-GFCCVEGCSA-N
XLogP3.59
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]butanamide
CID 4592510
N-[(1S)-1-(1-pentylbenzimidazol-2-yl)ethyl]butanamide
CID 7023923
3-(1H-benzimidazol-2-yl)-N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]propanamide
CID 46974251
N-[1-(1-phenacylbenzimidazol-2-yl)ethyl]butanamide
CID 16968848
N-[1-(1-ethylbenzimidazol-2-yl)ethyl]pentanamide
CID 60597479
N-[(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]propanamide
CID 751204
3-(5-chloro-1-methylbenzimidazol-2-yl)-N-[(1S)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]propanamide
CID 92625845
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751102
N-[1-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]butanamide
CID 16968736
N-[(1R)-1-(1-propylbenzimidazol-2-yl)ethyl]propanamide
CID 751155
5-[1-(1-propan-2-ylbenzimidazol-2-yl)ethylcarbamoyl]thiophene-2-carboxylic acid
CID 119186029
4-amino-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]pentanamide
CID 120565069

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]butanamide?
The IUPAC name of N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]butanamide (CID 751172) is N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]butanamide.
What is the SMILES notation for N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]butanamide?
The canonical SMILES for N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]butanamide is CCCC(=O)N[C@H](C)c1nc2ccccc2n1C(C)C.
What is the InChIKey of N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]butanamide?
The InChIKey is KOUQIWZCZXNEEP-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H23N3O/c1-5-8-15(20)17-12(4)16-18-13-9-6-7-10-14(13)19(16)11(2)3/h6-7,9-12H,5,8H2,1-4H3,(H,17,20)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]butanamide?
N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]butanamide has a molecular weight of 273.38 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]butanamide is sourced from PubChem (CID 751172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).