2-[(E)-2-phenylethenyl]-1-propylbenzimidazole-5-carboxamide

C19H19N3O — CID 11833693

IUPAC2-[(E)-2-phenylethenyl]-1-propylbenzimidazole-5-carboxamide
SMILESCCCn1c(/C=C/c2ccccc2)nc2cc(C(N)=O)ccc21
InChIInChI=1S/C19H19N3O/c1-2-12-22-17-10-9-15(19(20)23)13-16(17)21-18(22)11-8-14-6-4-3-5-7-14/h3-11,13H,2,12H2,1H3,(H2,20,23)/b11-8+
InChIKeyYMXMXQFFFQZKBK-DHZHZOJOSA-N
MW305.38 g/mol
LogP3.72
Rot. Bonds5

About 2-[(E)-2-phenylethenyl]-1-propylbenzimidazole-5-carboxamide

2-[(E)-2-phenylethenyl]-1-propylbenzimidazole-5-carboxamide (PubChem CID 11833693) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-[(E)-2-phenylethenyl]-1-propylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[(E)-2-phenylethenyl]-1-propylbenzimidazole-5-carboxamide
PubChem CID11833693
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name2-[(E)-2-phenylethenyl]-1-propylbenzimidazole-5-carboxamide
SMILESCCCn1c(/C=C/c2ccccc2)nc2cc(C(N)=O)ccc21
InChIInChI=1S/C19H19N3O/c1-2-12-22-17-10-9-15(19(20)23)13-16(17)21-18(22)11-8-14-6-4-3-5-7-14/h3-11,13H,2,12H2,1H3,(H2,20,23)/b11-8+
InChIKeyYMXMXQFFFQZKBK-DHZHZOJOSA-N
XLogP3.72
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-pentyl-2-(2-phenylethenyl)benzimidazole
CID 3761593
1-octadecyl-2-(2-phenylethenyl)benzimidazole
CID 4153645
1-butyl-2-(2-phenylethenyl)benzimidazole
CID 2896888
N,N-dimethyl-4-[2-(1-propylbenzimidazol-2-yl)ethenyl]aniline
CID 78505875
ethyl 2-[5,6-dimethyl-2-(2-phenylethenyl)benzimidazol-1-yl]acetate
CID 3421062
1-(3-aminopropyl)-2-phenylbenzimidazole-5-carboxamide
CID 122192066
2-[5,6-dimethoxy-2-[(E)-2-phenylethenyl]benzimidazol-1-yl]ethanol
CID 82149384
N-(3-methylphenyl)-2-[2-(2-phenylethenyl)benzimidazol-1-yl]acetamide
CID 5084870
4-[2-[1-(cyanomethyl)benzimidazol-2-yl]ethenyl]benzoic acid
CID 154747114
2-[2-(4-methoxyphenyl)ethenyl]-1-nonylbenzimidazole
CID 5088588
2-amino-1-[(2S)-2-hydroxy-2-phenylethyl]benzimidazole-5-carboxamide
CID 164903398
2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-undecylbenzimidazole
CID 6266974

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-phenylethenyl]-1-propylbenzimidazole-5-carboxamide?
The IUPAC name of 2-[(E)-2-phenylethenyl]-1-propylbenzimidazole-5-carboxamide (CID 11833693) is 2-[(E)-2-phenylethenyl]-1-propylbenzimidazole-5-carboxamide.
What is the SMILES notation for 2-[(E)-2-phenylethenyl]-1-propylbenzimidazole-5-carboxamide?
The canonical SMILES for 2-[(E)-2-phenylethenyl]-1-propylbenzimidazole-5-carboxamide is CCCn1c(/C=C/c2ccccc2)nc2cc(C(N)=O)ccc21.
What is the InChIKey of 2-[(E)-2-phenylethenyl]-1-propylbenzimidazole-5-carboxamide?
The InChIKey is YMXMXQFFFQZKBK-DHZHZOJOSA-N. The full InChI is InChI=1S/C19H19N3O/c1-2-12-22-17-10-9-15(19(20)23)13-16(17)21-18(22)11-8-14-6-4-3-5-7-14/h3-11,13H,2,12H2,1H3,(H2,20,23)/b11-8+.
What are the key properties of 2-[(E)-2-phenylethenyl]-1-propylbenzimidazole-5-carboxamide?
2-[(E)-2-phenylethenyl]-1-propylbenzimidazole-5-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-phenylethenyl]-1-propylbenzimidazole-5-carboxamide is sourced from PubChem (CID 11833693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).