4-chloro-1-(dicyclopropylmethyl)benzimidazol-2-amine

C14H16ClN3 — CID 113459022

IUPAC4-chloro-1-(dicyclopropylmethyl)benzimidazol-2-amine
SMILESNc1nc2c(Cl)cccc2n1C(C1CC1)C1CC1
InChIInChI=1S/C14H16ClN3/c15-10-2-1-3-11-12(10)17-14(16)18(11)13(8-4-5-8)9-6-7-9/h1-3,8-9,13H,4-7H2,(H2,16,17)
InChIKeyGDSKGCZAGCPANE-UHFFFAOYSA-N
MW261.76 g/mol
LogP3.63
Rot. Bonds3

About 4-chloro-1-(dicyclopropylmethyl)benzimidazol-2-amine

4-chloro-1-(dicyclopropylmethyl)benzimidazol-2-amine (PubChem CID 113459022) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 4-chloro-1-(dicyclopropylmethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name4-chloro-1-(dicyclopropylmethyl)benzimidazol-2-amine
PubChem CID113459022
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name4-chloro-1-(dicyclopropylmethyl)benzimidazol-2-amine
SMILESNc1nc2c(Cl)cccc2n1C(C1CC1)C1CC1
InChIInChI=1S/C14H16ClN3/c15-10-2-1-3-11-12(10)17-14(16)18(11)13(8-4-5-8)9-6-7-9/h1-3,8-9,13H,4-7H2,(H2,16,17)
InChIKeyGDSKGCZAGCPANE-UHFFFAOYSA-N
XLogP3.63
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-1-(1-cyclohexylpropyl)benzimidazol-2-amine
CID 104837082
4-chloro-1-(1-phenylethyl)benzimidazol-2-amine
CID 104836790
6-chloro-1-(dicyclopropylmethyl)benzimidazol-2-amine
CID 113316180
4-chloro-1-(4-methylsulfanylbutan-2-yl)benzimidazol-2-amine
CID 113477819
4-chloro-1-octan-2-ylbenzimidazol-2-amine
CID 104836976
4-chloro-1-(2,3-dihydro-1H-inden-2-yl)benzimidazol-2-amine
CID 107853138
4-chloro-1-[1-(furan-2-yl)propan-2-yl]benzimidazol-2-amine
CID 104836966
4-chloro-1-[(4-methylcyclohexyl)methyl]benzimidazol-2-amine
CID 104837112
7-chloro-1-(1-cyclopropylethyl)benzimidazol-2-amine
CID 43662113
4-chloro-1-(3-cyclopentylpropyl)benzimidazol-2-amine
CID 106008029
2-[4-chloro-1-(1-cyclopropylethyl)benzimidazol-2-yl]sulfanylacetic acid
CID 104836698
2-bromo-4-chloro-1-propan-2-ylbenzimidazole
CID 83845123

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(dicyclopropylmethyl)benzimidazol-2-amine?
The IUPAC name of 4-chloro-1-(dicyclopropylmethyl)benzimidazol-2-amine (CID 113459022) is 4-chloro-1-(dicyclopropylmethyl)benzimidazol-2-amine.
What is the SMILES notation for 4-chloro-1-(dicyclopropylmethyl)benzimidazol-2-amine?
The canonical SMILES for 4-chloro-1-(dicyclopropylmethyl)benzimidazol-2-amine is Nc1nc2c(Cl)cccc2n1C(C1CC1)C1CC1.
What is the InChIKey of 4-chloro-1-(dicyclopropylmethyl)benzimidazol-2-amine?
The InChIKey is GDSKGCZAGCPANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c15-10-2-1-3-11-12(10)17-14(16)18(11)13(8-4-5-8)9-6-7-9/h1-3,8-9,13H,4-7H2,(H2,16,17).
What are the key properties of 4-chloro-1-(dicyclopropylmethyl)benzimidazol-2-amine?
4-chloro-1-(dicyclopropylmethyl)benzimidazol-2-amine has a molecular weight of 261.76 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(dicyclopropylmethyl)benzimidazol-2-amine is sourced from PubChem (CID 113459022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).