6-methyl-2-(3-pyrrolidin-1-ylphenyl)-1H-benzimidazole

C18H19N3 — CID 168514664

IUPAC6-methyl-2-(3-pyrrolidin-1-ylphenyl)-1H-benzimidazole
SMILESCc1ccc2nc(-c3cccc(N4CCCC4)c3)[nH]c2c1
InChIInChI=1S/C18H19N3/c1-13-7-8-16-17(11-13)20-18(19-16)14-5-4-6-15(12-14)21-9-2-3-10-21/h4-8,11-12H,2-3,9-10H2,1H3,(H,19,20)
InChIKeyCGUXJTSDIYKACK-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.14
Rot. Bonds2

About 6-methyl-2-(3-pyrrolidin-1-ylphenyl)-1H-benzimidazole

6-methyl-2-(3-pyrrolidin-1-ylphenyl)-1H-benzimidazole (PubChem CID 168514664) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 6-methyl-2-(3-pyrrolidin-1-ylphenyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-methyl-2-(3-pyrrolidin-1-ylphenyl)-1H-benzimidazole
PubChem CID168514664
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name6-methyl-2-(3-pyrrolidin-1-ylphenyl)-1H-benzimidazole
SMILESCc1ccc2nc(-c3cccc(N4CCCC4)c3)[nH]c2c1
InChIInChI=1S/C18H19N3/c1-13-7-8-16-17(11-13)20-18(19-16)14-5-4-6-15(12-14)21-9-2-3-10-21/h4-8,11-12H,2-3,9-10H2,1H3,(H,19,20)
InChIKeyCGUXJTSDIYKACK-UHFFFAOYSA-N
XLogP4.14
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(azepan-1-yl)-6-methyl-1H-benzimidazole
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6-methyl-2-(3-propan-2-yloxyphenyl)-1H-benzimidazole
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6-methyl-2-[6-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole
CID 3532439
ethane;bis(2-methyl-6-[2-(3-methylphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole);bis(2-methyl-6-[2-(4-methylphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole)
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N-methyl-4-(6-methyl-1H-benzimidazol-2-yl)-N-(2-piperidin-1-ylethyl)aniline
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6-methyl-2-pyrimidin-5-yl-1H-benzimidazole
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[2-(3-methylphenyl)-3H-benzimidazol-5-yl]methanamine
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5-chloro-6-methyl-2-(4-pyrrolidin-1-ylphenyl)-1H-benzimidazole
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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(3-pyrrolidin-1-ylphenyl)-1H-benzimidazole?
The IUPAC name of 6-methyl-2-(3-pyrrolidin-1-ylphenyl)-1H-benzimidazole (CID 168514664) is 6-methyl-2-(3-pyrrolidin-1-ylphenyl)-1H-benzimidazole.
What is the SMILES notation for 6-methyl-2-(3-pyrrolidin-1-ylphenyl)-1H-benzimidazole?
The canonical SMILES for 6-methyl-2-(3-pyrrolidin-1-ylphenyl)-1H-benzimidazole is Cc1ccc2nc(-c3cccc(N4CCCC4)c3)[nH]c2c1.
What is the InChIKey of 6-methyl-2-(3-pyrrolidin-1-ylphenyl)-1H-benzimidazole?
The InChIKey is CGUXJTSDIYKACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-13-7-8-16-17(11-13)20-18(19-16)14-5-4-6-15(12-14)21-9-2-3-10-21/h4-8,11-12H,2-3,9-10H2,1H3,(H,19,20).
What are the key properties of 6-methyl-2-(3-pyrrolidin-1-ylphenyl)-1H-benzimidazole?
6-methyl-2-(3-pyrrolidin-1-ylphenyl)-1H-benzimidazole has a molecular weight of 277.37 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(3-pyrrolidin-1-ylphenyl)-1H-benzimidazole is sourced from PubChem (CID 168514664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).