N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]propanamide

C12H15N3O — CID 751231

IUPACN-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]propanamide
SMILESCCC(=O)N[C@@H](C)c1nc2ccccc2[nH]1
InChIInChI=1S/C12H15N3O/c1-3-11(16)13-8(2)12-14-9-6-4-5-7-10(9)15-12/h4-8H,3H2,1-2H3,(H,13,16)(H,14,15)/t8-/m0/s1
InChIKeyGKNSZBXBYJYRPI-QMMMGPOBSA-N
MW217.27 g/mol
LogP2.15
Rot. Bonds3

About N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]propanamide

N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]propanamide (PubChem CID 751231) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]propanamide
PubChem CID751231
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC NameN-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]propanamide
SMILESCCC(=O)N[C@@H](C)c1nc2ccccc2[nH]1
InChIInChI=1S/C12H15N3O/c1-3-11(16)13-8(2)12-14-9-6-4-5-7-10(9)15-12/h4-8H,3H2,1-2H3,(H,13,16)(H,14,15)/t8-/m0/s1
InChIKeyGKNSZBXBYJYRPI-QMMMGPOBSA-N
XLogP2.15
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methoxyacetamide
CID 3237629
N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide
CID 3149717
(3R)-N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3-phenylbutanamide
CID 41083085
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide
CID 7060732
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(4-bromophenyl)acetamide
CID 18116415
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 25345580
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 18116312
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-propan-2-ylurea
CID 23548549
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-propylpentanamide
CID 115532400
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide
CID 751239
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(cyclopropylmethylamino)acetamide;dihydrochloride
CID 119834530
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 18124163

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]propanamide?
The IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]propanamide (CID 751231) is N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]propanamide.
What is the SMILES notation for N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]propanamide?
The canonical SMILES for N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]propanamide is CCC(=O)N[C@@H](C)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]propanamide?
The InChIKey is GKNSZBXBYJYRPI-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H15N3O/c1-3-11(16)13-8(2)12-14-9-6-4-5-7-10(9)15-12/h4-8H,3H2,1-2H3,(H,13,16)(H,14,15)/t8-/m0/s1.
What are the key properties of N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]propanamide?
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]propanamide has a molecular weight of 217.27 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]propanamide is sourced from PubChem (CID 751231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).