2-[1-(1-methylbenzimidazol-2-yl)ethylamino]propanamide

C13H18N4O — CID 43545364

IUPAC2-[1-(1-methylbenzimidazol-2-yl)ethylamino]propanamide
SMILESCC(NC(C)c1nc2ccccc2n1C)C(N)=O
InChIInChI=1S/C13H18N4O/c1-8(12(14)18)15-9(2)13-16-10-6-4-5-7-11(10)17(13)3/h4-9,15H,1-3H3,(H2,14,18)
InChIKeyFYMKXSGXKQSIIN-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.10
Rot. Bonds4

About 2-[1-(1-methylbenzimidazol-2-yl)ethylamino]propanamide

2-[1-(1-methylbenzimidazol-2-yl)ethylamino]propanamide (PubChem CID 43545364) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[1-(1-methylbenzimidazol-2-yl)ethylamino]propanamide.

Molecular Properties

Compound Name2-[1-(1-methylbenzimidazol-2-yl)ethylamino]propanamide
PubChem CID43545364
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name2-[1-(1-methylbenzimidazol-2-yl)ethylamino]propanamide
SMILESCC(NC(C)c1nc2ccccc2n1C)C(N)=O
InChIInChI=1S/C13H18N4O/c1-8(12(14)18)15-9(2)13-16-10-6-4-5-7-11(10)17(13)3/h4-9,15H,1-3H3,(H2,14,18)
InChIKeyFYMKXSGXKQSIIN-UHFFFAOYSA-N
XLogP1.10
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-2-[1-(1-methylbenzimidazol-2-yl)ethylamino]propanamide
CID 43573947
N-[1-(1-methylbenzimidazol-2-yl)ethyl]propan-2-amine
CID 43190090
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751102
(1S)-N-[1-(1-methylbenzimidazol-2-yl)ethyl]-1-phenylethanamine
CID 81351559
2,2-dimethyl-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide
CID 751106
1-(1-methylbenzimidazol-2-yl)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]ethanamine
CID 43703094
(2S)-2-amino-3,3-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]butanamide
CID 119890012
4-methyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]pentan-2-amine
CID 43371877
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-phenylacetamide
CID 751118
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-phenylacetamide
CID 4082682
2-acetyl-N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]benzamide
CID 124608305
N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]formamide
CID 7574617

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-methylbenzimidazol-2-yl)ethylamino]propanamide?
The IUPAC name of 2-[1-(1-methylbenzimidazol-2-yl)ethylamino]propanamide (CID 43545364) is 2-[1-(1-methylbenzimidazol-2-yl)ethylamino]propanamide.
What is the SMILES notation for 2-[1-(1-methylbenzimidazol-2-yl)ethylamino]propanamide?
The canonical SMILES for 2-[1-(1-methylbenzimidazol-2-yl)ethylamino]propanamide is CC(NC(C)c1nc2ccccc2n1C)C(N)=O.
What is the InChIKey of 2-[1-(1-methylbenzimidazol-2-yl)ethylamino]propanamide?
The InChIKey is FYMKXSGXKQSIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-8(12(14)18)15-9(2)13-16-10-6-4-5-7-11(10)17(13)3/h4-9,15H,1-3H3,(H2,14,18).
What are the key properties of 2-[1-(1-methylbenzimidazol-2-yl)ethylamino]propanamide?
2-[1-(1-methylbenzimidazol-2-yl)ethylamino]propanamide has a molecular weight of 246.31 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-methylbenzimidazol-2-yl)ethylamino]propanamide is sourced from PubChem (CID 43545364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).