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

C13H17N3O — CID 751102

IUPACN-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
SMILESCCC(=O)N[C@@H](C)c1nc2ccccc2n1C
InChIInChI=1S/C13H17N3O/c1-4-12(17)14-9(2)13-15-10-7-5-6-8-11(10)16(13)3/h5-9H,4H2,1-3H3,(H,14,17)/t9-/m0/s1
InChIKeyIWSXPVHJUKMGTP-VIFPVBQESA-N
MW231.30 g/mol
LogP2.16
Rot. Bonds3

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

N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide (PubChem CID 751102) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
PubChem CID751102
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
SMILESCCC(=O)N[C@@H](C)c1nc2ccccc2n1C
InChIInChI=1S/C13H17N3O/c1-4-12(17)14-9(2)13-15-10-7-5-6-8-11(10)16(13)3/h5-9H,4H2,1-3H3,(H,14,17)/t9-/m0/s1
InChIKeyIWSXPVHJUKMGTP-VIFPVBQESA-N
XLogP2.16
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-phenylacetamide
CID 751118
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-phenylacetamide
CID 4082682
2-methoxy-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]acetamide
CID 751110
N-[(1R)-1-(1-propylbenzimidazol-2-yl)ethyl]propanamide
CID 751155
2-(4-ethylpiperazin-1-yl)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]acetamide
CID 131944683
N-[(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]propanamide
CID 751204
2-(4-ethoxyphenyl)-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]acetamide
CID 95772905
2-(2-methoxyethylamino)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]acetamide
CID 119890038
N-[1-(1-undecylbenzimidazol-2-yl)ethyl]propanamide
CID 16968572
2,2-dimethyl-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751106
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]-3-pyridin-4-ylpropanamide
CID 124571675
N-[1-(1-methylbenzimidazol-2-yl)ethyl]pyridine-2-carboxamide
CID 16966659

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide?
The IUPAC name of N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide (CID 751102) is N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide.
What is the SMILES notation for N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide?
The canonical SMILES for N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide is CCC(=O)N[C@@H](C)c1nc2ccccc2n1C.
What is the InChIKey of N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide?
The InChIKey is IWSXPVHJUKMGTP-VIFPVBQESA-N. The full InChI is InChI=1S/C13H17N3O/c1-4-12(17)14-9(2)13-15-10-7-5-6-8-11(10)16(13)3/h5-9H,4H2,1-3H3,(H,14,17)/t9-/m0/s1.
What are the key properties of N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide?
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide has a molecular weight of 231.30 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide is sourced from PubChem (CID 751102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).