3-(1H-benzimidazol-2-yl)-1-cyclohexyl-4,5-dimethylpyrrol-2-amine

C19H24N4 — CID 7693529

IUPAC3-(1H-benzimidazol-2-yl)-1-cyclohexyl-4,5-dimethylpyrrol-2-amine
SMILESCc1c(-c2nc3ccccc3[nH]2)c(N)n(C2CCCCC2)c1C
InChIInChI=1S/C19H24N4/c1-12-13(2)23(14-8-4-3-5-9-14)18(20)17(12)19-21-15-10-6-7-11-16(15)22-19/h6-7,10-11,14H,3-5,8-9,20H2,1-2H3,(H,21,22)
InChIKeyKRTVIGYELFEGMD-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.74
Rot. Bonds2

About 3-(1H-benzimidazol-2-yl)-1-cyclohexyl-4,5-dimethylpyrrol-2-amine

3-(1H-benzimidazol-2-yl)-1-cyclohexyl-4,5-dimethylpyrrol-2-amine (PubChem CID 7693529) has the molecular formula C19H24N4 and a molecular weight of 308.43 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-1-cyclohexyl-4,5-dimethylpyrrol-2-amine.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-1-cyclohexyl-4,5-dimethylpyrrol-2-amine
PubChem CID7693529
Molecular FormulaC19H24N4
Molecular Weight308.43 g/mol
Exact Mass308.20
IUPAC Name3-(1H-benzimidazol-2-yl)-1-cyclohexyl-4,5-dimethylpyrrol-2-amine
SMILESCc1c(-c2nc3ccccc3[nH]2)c(N)n(C2CCCCC2)c1C
InChIInChI=1S/C19H24N4/c1-12-13(2)23(14-8-4-3-5-9-14)18(20)17(12)19-21-15-10-6-7-11-16(15)22-19/h6-7,10-11,14H,3-5,8-9,20H2,1-2H3,(H,21,22)
InChIKeyKRTVIGYELFEGMD-UHFFFAOYSA-N
XLogP4.74
TPSA59.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-1-cyclohexyl-4,5-dimethylpyrrol-2-amine?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-1-cyclohexyl-4,5-dimethylpyrrol-2-amine (CID 7693529) is 3-(1H-benzimidazol-2-yl)-1-cyclohexyl-4,5-dimethylpyrrol-2-amine.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-1-cyclohexyl-4,5-dimethylpyrrol-2-amine?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-1-cyclohexyl-4,5-dimethylpyrrol-2-amine is Cc1c(-c2nc3ccccc3[nH]2)c(N)n(C2CCCCC2)c1C.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-1-cyclohexyl-4,5-dimethylpyrrol-2-amine?
The InChIKey is KRTVIGYELFEGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4/c1-12-13(2)23(14-8-4-3-5-9-14)18(20)17(12)19-21-15-10-6-7-11-16(15)22-19/h6-7,10-11,14H,3-5,8-9,20H2,1-2H3,(H,21,22).
What are the key properties of 3-(1H-benzimidazol-2-yl)-1-cyclohexyl-4,5-dimethylpyrrol-2-amine?
3-(1H-benzimidazol-2-yl)-1-cyclohexyl-4,5-dimethylpyrrol-2-amine has a molecular weight of 308.43 g/mol, XLogP of 4.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-1-cyclohexyl-4,5-dimethylpyrrol-2-amine is sourced from PubChem (CID 7693529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).