4-chloro-1-(2,3-dihydro-1H-inden-2-yl)benzimidazol-2-amine

C16H14ClN3 — CID 107853138

IUPAC4-chloro-1-(2,3-dihydro-1H-inden-2-yl)benzimidazol-2-amine
SMILESNc1nc2c(Cl)cccc2n1C1Cc2ccccc2C1
InChIInChI=1S/C16H14ClN3/c17-13-6-3-7-14-15(13)19-16(18)20(14)12-8-10-4-1-2-5-11(10)9-12/h1-7,12H,8-9H2,(H2,18,19)
InChIKeyJVITUWIOLNWVKP-UHFFFAOYSA-N
MW283.76 g/mol
LogP3.61
Rot. Bonds1

About 4-chloro-1-(2,3-dihydro-1H-inden-2-yl)benzimidazol-2-amine

4-chloro-1-(2,3-dihydro-1H-inden-2-yl)benzimidazol-2-amine (PubChem CID 107853138) has the molecular formula C16H14ClN3 and a molecular weight of 283.76 g/mol. Its IUPAC name is 4-chloro-1-(2,3-dihydro-1H-inden-2-yl)benzimidazol-2-amine.

Molecular Properties

Compound Name4-chloro-1-(2,3-dihydro-1H-inden-2-yl)benzimidazol-2-amine
PubChem CID107853138
Molecular FormulaC16H14ClN3
Molecular Weight283.76 g/mol
Exact Mass283.09
IUPAC Name4-chloro-1-(2,3-dihydro-1H-inden-2-yl)benzimidazol-2-amine
SMILESNc1nc2c(Cl)cccc2n1C1Cc2ccccc2C1
InChIInChI=1S/C16H14ClN3/c17-13-6-3-7-14-15(13)19-16(18)20(14)12-8-10-4-1-2-5-11(10)9-12/h1-7,12H,8-9H2,(H2,18,19)
InChIKeyJVITUWIOLNWVKP-UHFFFAOYSA-N
XLogP3.61
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-1-cyclobutylbenzimidazole
CID 84800761
4-(aminomethyl)-1-cyclopropylbenzimidazol-2-amine
CID 84776913
4-chloro-1-(dicyclopropylmethyl)benzimidazol-2-amine
CID 113459022
5-chloro-1-(1,2,3,4-tetrahydronaphthalen-2-yl)benzimidazol-2-amine
CID 62317084
5-bromo-1-(2,3-dihydro-1H-inden-2-yl)-6-fluorobenzimidazol-2-amine
CID 107853135
2-bromo-4-chloro-1-cyclopentylbenzimidazole
CID 84816196
4-chloro-1-(1-phenylethyl)benzimidazol-2-amine
CID 104836790
4-chloro-1-(2-chloro-6-methylphenyl)benzimidazol-2-amine
CID 104837184
4-chloro-1-[(4-methylcyclohexyl)methyl]benzimidazol-2-amine
CID 104837112
4-chloro-2-(chloromethyl)-1-(oxan-4-yl)benzimidazole
CID 104837704
4-fluoro-1-piperidin-4-ylbenzimidazol-2-amine
CID 84796902
4-methyl-1-piperidin-4-ylbenzimidazol-2-amine
CID 84793880

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(2,3-dihydro-1H-inden-2-yl)benzimidazol-2-amine?
The IUPAC name of 4-chloro-1-(2,3-dihydro-1H-inden-2-yl)benzimidazol-2-amine (CID 107853138) is 4-chloro-1-(2,3-dihydro-1H-inden-2-yl)benzimidazol-2-amine.
What is the SMILES notation for 4-chloro-1-(2,3-dihydro-1H-inden-2-yl)benzimidazol-2-amine?
The canonical SMILES for 4-chloro-1-(2,3-dihydro-1H-inden-2-yl)benzimidazol-2-amine is Nc1nc2c(Cl)cccc2n1C1Cc2ccccc2C1.
What is the InChIKey of 4-chloro-1-(2,3-dihydro-1H-inden-2-yl)benzimidazol-2-amine?
The InChIKey is JVITUWIOLNWVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3/c17-13-6-3-7-14-15(13)19-16(18)20(14)12-8-10-4-1-2-5-11(10)9-12/h1-7,12H,8-9H2,(H2,18,19).
What are the key properties of 4-chloro-1-(2,3-dihydro-1H-inden-2-yl)benzimidazol-2-amine?
4-chloro-1-(2,3-dihydro-1H-inden-2-yl)benzimidazol-2-amine has a molecular weight of 283.76 g/mol, XLogP of 3.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(2,3-dihydro-1H-inden-2-yl)benzimidazol-2-amine is sourced from PubChem (CID 107853138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).