2-methyl-N-[5-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]pentyl]prop-2-enamide

C24H29N3O — CID 16992370

IUPAC2-methyl-N-[5-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]pentyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCCCCc1nc2ccccc2n1Cc1cccc(C)c1
InChIInChI=1S/C24H29N3O/c1-18(2)24(28)25-15-8-4-5-14-23-26-21-12-6-7-13-22(21)27(23)17-20-11-9-10-19(3)16-20/h6-7,9-13,16H,1,4-5,8,14-15,17H2,2-3H3,(H,25,28)
InChIKeyGGKQPNMACLLPKI-UHFFFAOYSA-N
MW375.52 g/mol
LogP4.80
Rot. Bonds9

About 2-methyl-N-[5-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]pentyl]prop-2-enamide

2-methyl-N-[5-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]pentyl]prop-2-enamide (PubChem CID 16992370) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is 2-methyl-N-[5-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]pentyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[5-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]pentyl]prop-2-enamide
PubChem CID16992370
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC Name2-methyl-N-[5-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]pentyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCCCCc1nc2ccccc2n1Cc1cccc(C)c1
InChIInChI=1S/C24H29N3O/c1-18(2)24(28)25-15-8-4-5-14-23-26-21-12-6-7-13-22(21)27(23)17-20-11-9-10-19(3)16-20/h6-7,9-13,16H,1,4-5,8,14-15,17H2,2-3H3,(H,25,28)
InChIKeyGGKQPNMACLLPKI-UHFFFAOYSA-N
XLogP4.80
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[2-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16980386
2-methyl-N-[5-[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]pentyl]prop-2-enamide
CID 16992463
N-[5-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]pentyl]-3-methylbenzamide
CID 16990274
N-[5-(1-decylbenzimidazol-2-yl)pentyl]-2-methylprop-2-enamide
CID 16992361
2-methyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]prop-2-enamide
CID 16992362
N-[5-[1-[3-(2,4-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-methylprop-2-enamide
CID 16992424
N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylprop-2-enamide
CID 16986858
4-methyl-N-[2-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976528
N-[5-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]pentyl]acetamide
CID 16987846
N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2-methylprop-2-enamide
CID 16986870
N-[2-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
CID 16975159
3,4,5-trimethoxy-N-[3-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 16983949

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]pentyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[5-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]pentyl]prop-2-enamide (CID 16992370) is 2-methyl-N-[5-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]pentyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[5-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]pentyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[5-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]pentyl]prop-2-enamide is C=C(C)C(=O)NCCCCCc1nc2ccccc2n1Cc1cccc(C)c1.
What is the InChIKey of 2-methyl-N-[5-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]pentyl]prop-2-enamide?
The InChIKey is GGKQPNMACLLPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O/c1-18(2)24(28)25-15-8-4-5-14-23-26-21-12-6-7-13-22(21)27(23)17-20-11-9-10-19(3)16-20/h6-7,9-13,16H,1,4-5,8,14-15,17H2,2-3H3,(H,25,28).
What are the key properties of 2-methyl-N-[5-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]pentyl]prop-2-enamide?
2-methyl-N-[5-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]pentyl]prop-2-enamide has a molecular weight of 375.52 g/mol, XLogP of 4.80, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[5-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]pentyl]prop-2-enamide is sourced from PubChem (CID 16992370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).