3-amino-N-[(1-cyclopropyl-2-methylbenzimidazol-5-yl)methyl]propanamide

C15H20N4O — CID 96679538

IUPAC3-amino-N-[(1-cyclopropyl-2-methylbenzimidazol-5-yl)methyl]propanamide
SMILESCc1nc2cc(CNC(=O)CCN)ccc2n1C1CC1
InChIInChI=1S/C15H20N4O/c1-10-18-13-8-11(9-17-15(20)6-7-16)2-5-14(13)19(10)12-3-4-12/h2,5,8,12H,3-4,6-7,9,16H2,1H3,(H,17,20)
InChIKeyKQKXKTUJOSKPSC-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.64
Rot. Bonds5

About 3-amino-N-[(1-cyclopropyl-2-methylbenzimidazol-5-yl)methyl]propanamide

3-amino-N-[(1-cyclopropyl-2-methylbenzimidazol-5-yl)methyl]propanamide (PubChem CID 96679538) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-amino-N-[(1-cyclopropyl-2-methylbenzimidazol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[(1-cyclopropyl-2-methylbenzimidazol-5-yl)methyl]propanamide
PubChem CID96679538
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name3-amino-N-[(1-cyclopropyl-2-methylbenzimidazol-5-yl)methyl]propanamide
SMILESCc1nc2cc(CNC(=O)CCN)ccc2n1C1CC1
InChIInChI=1S/C15H20N4O/c1-10-18-13-8-11(9-17-15(20)6-7-16)2-5-14(13)19(10)12-3-4-12/h2,5,8,12H,3-4,6-7,9,16H2,1H3,(H,17,20)
InChIKeyKQKXKTUJOSKPSC-UHFFFAOYSA-N
XLogP1.64
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-cyclopropyl-2-methylbenzimidazol-5-yl)methylamino]acetic acid
CID 82500329
3-amino-N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]propanamide
CID 115153026
2-(1-cyclopropyl-2-methylbenzimidazol-5-yl)acetonitrile
CID 82492655
1-(1-cyclopropyl-2-methylbenzimidazol-5-yl)-3-(methylamino)propan-1-one
CID 96677057
3-(3-but-3-ynyldiazirin-3-yl)-N-[(1-cyclopropyl-2-ethylbenzimidazol-5-yl)methyl]propanamide
CID 154773455
N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]pentanamide
CID 110786061
2-chloro-N-[(1-cyclopropyl-2-ethylbenzimidazol-5-yl)methyl]propanamide
CID 146094947
N-[(1-cyclopropyl-2-ethylbenzimidazol-5-yl)methyl]-2,3-dihydroxy-4-methylbenzamide
CID 166230679
N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-4-phenoxybutanamide
CID 110794764
2-(1,2-dimethylbenzimidazol-5-yl)-N-[(3-methylphenyl)methyl]acetamide
CID 110773123
N-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]pentanamide
CID 110786135
2-methyl-1-(4-methylcyclohexyl)benzimidazole-5-carboxylic acid
CID 43322927

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1-cyclopropyl-2-methylbenzimidazol-5-yl)methyl]propanamide?
The IUPAC name of 3-amino-N-[(1-cyclopropyl-2-methylbenzimidazol-5-yl)methyl]propanamide (CID 96679538) is 3-amino-N-[(1-cyclopropyl-2-methylbenzimidazol-5-yl)methyl]propanamide.
What is the SMILES notation for 3-amino-N-[(1-cyclopropyl-2-methylbenzimidazol-5-yl)methyl]propanamide?
The canonical SMILES for 3-amino-N-[(1-cyclopropyl-2-methylbenzimidazol-5-yl)methyl]propanamide is Cc1nc2cc(CNC(=O)CCN)ccc2n1C1CC1.
What is the InChIKey of 3-amino-N-[(1-cyclopropyl-2-methylbenzimidazol-5-yl)methyl]propanamide?
The InChIKey is KQKXKTUJOSKPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-10-18-13-8-11(9-17-15(20)6-7-16)2-5-14(13)19(10)12-3-4-12/h2,5,8,12H,3-4,6-7,9,16H2,1H3,(H,17,20).
What are the key properties of 3-amino-N-[(1-cyclopropyl-2-methylbenzimidazol-5-yl)methyl]propanamide?
3-amino-N-[(1-cyclopropyl-2-methylbenzimidazol-5-yl)methyl]propanamide has a molecular weight of 272.35 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1-cyclopropyl-2-methylbenzimidazol-5-yl)methyl]propanamide is sourced from PubChem (CID 96679538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).