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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Related Compounds

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CID 12132
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CID 12855
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CID 123618
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CID 16659285
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CID 2387
CID 2387
CID 247635
CID 247635
CID 101259
CID 101259
CID 824226
CID 824226
CID 79869
CID 79869
CID 50921533
CID 50921533

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).