6-[2-(5-methyl-1H-imidazol-4-yl)ethyl]-1H-benzimidazol-2-amine

C13H15N5 — CID 10354332

IUPAC6-[2-(5-methyl-1H-imidazol-4-yl)ethyl]-1H-benzimidazol-2-amine
SMILESCc1[nH]cnc1CCc1ccc2nc(N)[nH]c2c1
InChIInChI=1S/C13H15N5/c1-8-10(16-7-15-8)4-2-9-3-5-11-12(6-9)18-13(14)17-11/h3,5-7H,2,4H2,1H3,(H,15,16)(H3,14,17,18)
InChIKeyDMNGURZHDXVWEX-UHFFFAOYSA-N
MW241.30 g/mol
LogP1.96
Rot. Bonds3

About 6-[2-(5-methyl-1H-imidazol-4-yl)ethyl]-1H-benzimidazol-2-amine

6-[2-(5-methyl-1H-imidazol-4-yl)ethyl]-1H-benzimidazol-2-amine (PubChem CID 10354332) has the molecular formula C13H15N5 and a molecular weight of 241.30 g/mol. Its IUPAC name is 6-[2-(5-methyl-1H-imidazol-4-yl)ethyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name6-[2-(5-methyl-1H-imidazol-4-yl)ethyl]-1H-benzimidazol-2-amine
PubChem CID10354332
Molecular FormulaC13H15N5
Molecular Weight241.30 g/mol
Exact Mass241.13
IUPAC Name6-[2-(5-methyl-1H-imidazol-4-yl)ethyl]-1H-benzimidazol-2-amine
SMILESCc1[nH]cnc1CCc1ccc2nc(N)[nH]c2c1
InChIInChI=1S/C13H15N5/c1-8-10(16-7-15-8)4-2-9-3-5-11-12(6-9)18-13(14)17-11/h3,5-7H,2,4H2,1H3,(H,15,16)(H3,14,17,18)
InChIKeyDMNGURZHDXVWEX-UHFFFAOYSA-N
XLogP1.96
TPSA83.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-amino-3H-benzimidazol-5-yl)-N,N-dimethylacetamide
CID 90332895
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CID 90818369
6-iodo-1H-benzimidazol-2-amine
CID 60835496
5-methyl-4-(2-tritiooxyethyl)-1H-imidazole
CID 59099593
4-heptyl-5-methyl-1H-imidazole
CID 89069470
2-[2-[hydroxy(dimethyl)-λ4-sulfanyl]-3H-benzimidazol-5-yl]ethanamine
CID 123909536
2-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]morpholine
CID 116868530
2-[2-(2-amino-3H-benzimidazol-5-yl)acetyl]-3,4,5-trichloro-6-methylbenzoic acid
CID 159941579
10-(3H-benzimidazol-5-yl)decan-1-amine
CID 150986948
6-pentyl-1H-benzimidazole
CID 58767911
6-(3-methylbutyl)-1H-benzimidazole
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6-(2-fluoroethyl)-1H-benzimidazole
CID 139795437

Frequently Asked Questions

What is the IUPAC name of 6-[2-(5-methyl-1H-imidazol-4-yl)ethyl]-1H-benzimidazol-2-amine?
The IUPAC name of 6-[2-(5-methyl-1H-imidazol-4-yl)ethyl]-1H-benzimidazol-2-amine (CID 10354332) is 6-[2-(5-methyl-1H-imidazol-4-yl)ethyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for 6-[2-(5-methyl-1H-imidazol-4-yl)ethyl]-1H-benzimidazol-2-amine?
The canonical SMILES for 6-[2-(5-methyl-1H-imidazol-4-yl)ethyl]-1H-benzimidazol-2-amine is Cc1[nH]cnc1CCc1ccc2nc(N)[nH]c2c1.
What is the InChIKey of 6-[2-(5-methyl-1H-imidazol-4-yl)ethyl]-1H-benzimidazol-2-amine?
The InChIKey is DMNGURZHDXVWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5/c1-8-10(16-7-15-8)4-2-9-3-5-11-12(6-9)18-13(14)17-11/h3,5-7H,2,4H2,1H3,(H,15,16)(H3,14,17,18).
What are the key properties of 6-[2-(5-methyl-1H-imidazol-4-yl)ethyl]-1H-benzimidazol-2-amine?
6-[2-(5-methyl-1H-imidazol-4-yl)ethyl]-1H-benzimidazol-2-amine has a molecular weight of 241.30 g/mol, XLogP of 1.96, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(5-methyl-1H-imidazol-4-yl)ethyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 10354332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).