2-cyclopropyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]quinoline-4-carboxamide

C24H24N4O — CID 134036923

IUPAC2-cyclopropyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]quinoline-4-carboxamide
SMILESCc1nc2ccccc2n1CCCNC(=O)c1cc(C2CC2)nc2ccccc12
InChIInChI=1S/C24H24N4O/c1-16-26-21-9-4-5-10-23(21)28(16)14-6-13-25-24(29)19-15-22(17-11-12-17)27-20-8-3-2-7-18(19)20/h2-5,7-10,15,17H,6,11-14H2,1H3,(H,25,29)
InChIKeyBUOUILFKXQJWSQ-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.59
Rot. Bonds6

About 2-cyclopropyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]quinoline-4-carboxamide

2-cyclopropyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]quinoline-4-carboxamide (PubChem CID 134036923) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-cyclopropyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]quinoline-4-carboxamide
PubChem CID134036923
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name2-cyclopropyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]quinoline-4-carboxamide
SMILESCc1nc2ccccc2n1CCCNC(=O)c1cc(C2CC2)nc2ccccc12
InChIInChI=1S/C24H24N4O/c1-16-26-21-9-4-5-10-23(21)28(16)14-6-13-25-24(29)19-15-22(17-11-12-17)27-20-8-3-2-7-18(19)20/h2-5,7-10,15,17H,6,11-14H2,1H3,(H,25,29)
InChIKeyBUOUILFKXQJWSQ-UHFFFAOYSA-N
XLogP4.59
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-cyclopropyl-N-[2-(1-methylpyrazol-4-yl)ethyl]quinoline-4-carboxamide
CID 51083364
1-benzyl-2,5-dimethyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]pyrrole-3-carboxamide
CID 55451237
N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-oxochromene-3-carboxamide
CID 46514997
1-cyclopropyl-3-[3-(2-methylbenzimidazol-1-yl)propyl]urea
CID 47238303
2-cyclopropyl-N-methylsulfonylquinoline-4-carboxamide
CID 146154924
3-bromo-2-hydroxy-5-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide
CID 51122866
3-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]-1,2-oxazole-5-carboxamide
CID 46519962
4,5-dichloro-N-[3-(2-methylbenzimidazol-1-yl)propyl]-1H-pyrrole-2-carboxamide
CID 78839389
5-ethyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]-1H-pyrazole-3-carboxamide
CID 78862508
N-[3-[[N'-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]carbamimidoyl]amino]propyl]benzamide
CID 111353072
2-chloro-6-fluoro-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide
CID 110292027
2-cyclopropyl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 42537662

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]quinoline-4-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]quinoline-4-carboxamide (CID 134036923) is 2-cyclopropyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]quinoline-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]quinoline-4-carboxamide is Cc1nc2ccccc2n1CCCNC(=O)c1cc(C2CC2)nc2ccccc12.
What is the InChIKey of 2-cyclopropyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]quinoline-4-carboxamide?
The InChIKey is BUOUILFKXQJWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c1-16-26-21-9-4-5-10-23(21)28(16)14-6-13-25-24(29)19-15-22(17-11-12-17)27-20-8-3-2-7-18(19)20/h2-5,7-10,15,17H,6,11-14H2,1H3,(H,25,29).
What are the key properties of 2-cyclopropyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]quinoline-4-carboxamide?
2-cyclopropyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]quinoline-4-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]quinoline-4-carboxamide is sourced from PubChem (CID 134036923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).