5-cyclopropyl-1-(3-prop-1-en-2-ylphenyl)benzimidazole

C19H18N2 — CID 142946883

IUPAC5-cyclopropyl-1-(3-prop-1-en-2-ylphenyl)benzimidazole
SMILESC=C(C)c1cccc(-n2cnc3cc(C4CC4)ccc32)c1
InChIInChI=1S/C19H18N2/c1-13(2)15-4-3-5-17(10-15)21-12-20-18-11-16(14-6-7-14)8-9-19(18)21/h3-5,8-12,14H,1,6-7H2,2H3
InChIKeyROIBCMOQDNDKQK-UHFFFAOYSA-N
MW274.37 g/mol
LogP4.94
Rot. Bonds3

About 5-cyclopropyl-1-(3-prop-1-en-2-ylphenyl)benzimidazole

5-cyclopropyl-1-(3-prop-1-en-2-ylphenyl)benzimidazole (PubChem CID 142946883) has the molecular formula C19H18N2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 5-cyclopropyl-1-(3-prop-1-en-2-ylphenyl)benzimidazole.

Molecular Properties

Compound Name5-cyclopropyl-1-(3-prop-1-en-2-ylphenyl)benzimidazole
PubChem CID142946883
Molecular FormulaC19H18N2
Molecular Weight274.37 g/mol
Exact Mass274.15
IUPAC Name5-cyclopropyl-1-(3-prop-1-en-2-ylphenyl)benzimidazole
SMILESC=C(C)c1cccc(-n2cnc3cc(C4CC4)ccc32)c1
InChIInChI=1S/C19H18N2/c1-13(2)15-4-3-5-17(10-15)21-12-20-18-11-16(14-6-7-14)8-9-19(18)21/h3-5,8-12,14H,1,6-7H2,2H3
InChIKeyROIBCMOQDNDKQK-UHFFFAOYSA-N
XLogP4.94
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(5-cyclopropylbenzimidazol-1-yl)phenyl]-1,2-oxazole
CID 11324072
1-[1-(3-chlorophenyl)benzimidazol-5-yl]ethenamine
CID 164968478
5-(1,3-dioxol-2-yl)-1-(3-pyrrol-1-ylphenyl)benzimidazole
CID 141095840
1-(3-bromophenyl)benzimidazole-5-carboxylic acid;ethane
CID 143546276
N-[(2-methoxy-6-methylcyclohexa-1,3-dien-1-yl)methyl]-1-(3-methylphenyl)benzimidazole-5-carboxamide
CID 144712535
1-(3-prop-1-en-2-ylphenyl)pyrrole
CID 174651614
5-(1-piperidin-1-ylethenyl)-1-[3-(trifluoromethyl)phenyl]benzimidazole
CID 176715744
CID 149192166
CID 149192166
[1-(3-chlorophenyl)benzimidazol-5-yl]-pyrrolidin-1-ylmethanone
CID 156810853
ethane;1-(3-ethylphenyl)-5-propan-2-ylbenzimidazole
CID 143307448
1-[1-(3-bromophenyl)benzimidazol-5-yl]-1-deuterioethanol
CID 58349877
1-(3-fluorophenyl)-N-propylbenzimidazole-5-carboxamide
CID 3447663

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(3-prop-1-en-2-ylphenyl)benzimidazole?
The IUPAC name of 5-cyclopropyl-1-(3-prop-1-en-2-ylphenyl)benzimidazole (CID 142946883) is 5-cyclopropyl-1-(3-prop-1-en-2-ylphenyl)benzimidazole.
What is the SMILES notation for 5-cyclopropyl-1-(3-prop-1-en-2-ylphenyl)benzimidazole?
The canonical SMILES for 5-cyclopropyl-1-(3-prop-1-en-2-ylphenyl)benzimidazole is C=C(C)c1cccc(-n2cnc3cc(C4CC4)ccc32)c1.
What is the InChIKey of 5-cyclopropyl-1-(3-prop-1-en-2-ylphenyl)benzimidazole?
The InChIKey is ROIBCMOQDNDKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2/c1-13(2)15-4-3-5-17(10-15)21-12-20-18-11-16(14-6-7-14)8-9-19(18)21/h3-5,8-12,14H,1,6-7H2,2H3.
What are the key properties of 5-cyclopropyl-1-(3-prop-1-en-2-ylphenyl)benzimidazole?
5-cyclopropyl-1-(3-prop-1-en-2-ylphenyl)benzimidazole has a molecular weight of 274.37 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(3-prop-1-en-2-ylphenyl)benzimidazole is sourced from PubChem (CID 142946883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).