N-cyclopentyl-4-methoxy-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide

C24H27N3O2 — CID 18733297

IUPACN-cyclopentyl-4-methoxy-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide
SMILESC=CCn1c(CN(C(=O)c2ccc(OC)cc2)C2CCCC2)nc2ccccc21
InChIInChI=1S/C24H27N3O2/c1-3-16-26-22-11-7-6-10-21(22)25-23(26)17-27(19-8-4-5-9-19)24(28)18-12-14-20(29-2)15-13-18/h3,6-7,10-15,19H,1,4-5,8-9,16-17H2,2H3
InChIKeyPNJCRDDWJGMHCT-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.82
Rot. Bonds7

About N-cyclopentyl-4-methoxy-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide

N-cyclopentyl-4-methoxy-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide (PubChem CID 18733297) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-cyclopentyl-4-methoxy-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-4-methoxy-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide
PubChem CID18733297
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC NameN-cyclopentyl-4-methoxy-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide
SMILESC=CCn1c(CN(C(=O)c2ccc(OC)cc2)C2CCCC2)nc2ccccc21
InChIInChI=1S/C24H27N3O2/c1-3-16-26-22-11-7-6-10-21(22)25-23(26)17-27(19-8-4-5-9-19)24(28)18-12-14-20(29-2)15-13-18/h3,6-7,10-15,19H,1,4-5,8-9,16-17H2,2H3
InChIKeyPNJCRDDWJGMHCT-UHFFFAOYSA-N
XLogP4.82
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-cyclohexyl-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]acetamide
CID 16995967
N-[2-[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 16979692
4-methoxy-N'-[2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetyl]benzohydrazide
CID 42089104
N-[3-[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-(4-methoxyphenyl)acetamide
CID 16985663
(1S,5R)-N,N-dimethyl-3-[(1-prop-2-enylbenzimidazol-2-yl)methyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 56917733
2-methyl-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]propanamide
CID 17006187
N-[3-(1-prop-2-enylbenzimidazol-2-yl)propyl]cyclopropanecarboxamide
CID 16981612
4-fluoro-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide
CID 2975742
N-[[1-[2-(dicyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-N-methylpyridine-4-carboxamide
CID 16965844
3-iodo-N-prop-2-enyl-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide
CID 18734268
2-methyl-N-[2-(1-prop-2-enylbenzimidazol-2-yl)ethyl]propanamide
CID 955336
N-benzyl-N-cyclohexyl-2-[2-[[(2-methoxyacetyl)amino]methyl]benzimidazol-1-yl]acetamide
CID 17006639

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-methoxy-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide?
The IUPAC name of N-cyclopentyl-4-methoxy-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide (CID 18733297) is N-cyclopentyl-4-methoxy-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide.
What is the SMILES notation for N-cyclopentyl-4-methoxy-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide?
The canonical SMILES for N-cyclopentyl-4-methoxy-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide is C=CCn1c(CN(C(=O)c2ccc(OC)cc2)C2CCCC2)nc2ccccc21.
What is the InChIKey of N-cyclopentyl-4-methoxy-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide?
The InChIKey is PNJCRDDWJGMHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-3-16-26-22-11-7-6-10-21(22)25-23(26)17-27(19-8-4-5-9-19)24(28)18-12-14-20(29-2)15-13-18/h3,6-7,10-15,19H,1,4-5,8-9,16-17H2,2H3.
What are the key properties of N-cyclopentyl-4-methoxy-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide?
N-cyclopentyl-4-methoxy-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide has a molecular weight of 389.50 g/mol, XLogP of 4.82, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-methoxy-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]benzamide is sourced from PubChem (CID 18733297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).