6-[cyclopropyl(imidazol-1-yl)methyl]-1H-benzimidazole

C14H14N4 — CID 14518486

IUPAC6-[cyclopropyl(imidazol-1-yl)methyl]-1H-benzimidazole
SMILESc1cn(C(c2ccc3nc[nH]c3c2)C2CC2)cn1
InChIInChI=1S/C14H14N4/c1-2-10(1)14(18-6-5-15-9-18)11-3-4-12-13(7-11)17-8-16-12/h3-10,14H,1-2H2,(H,16,17)
InChIKeyODXYSKGHGIBNBC-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.76
Rot. Bonds3

About 6-[cyclopropyl(imidazol-1-yl)methyl]-1H-benzimidazole

6-[cyclopropyl(imidazol-1-yl)methyl]-1H-benzimidazole (PubChem CID 14518486) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 6-[cyclopropyl(imidazol-1-yl)methyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-[cyclopropyl(imidazol-1-yl)methyl]-1H-benzimidazole
PubChem CID14518486
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name6-[cyclopropyl(imidazol-1-yl)methyl]-1H-benzimidazole
SMILESc1cn(C(c2ccc3nc[nH]c3c2)C2CC2)cn1
InChIInChI=1S/C14H14N4/c1-2-10(1)14(18-6-5-15-9-18)11-3-4-12-13(7-11)17-8-16-12/h3-10,14H,1-2H2,(H,16,17)
InChIKeyODXYSKGHGIBNBC-UHFFFAOYSA-N
XLogP2.76
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[imidazol-1-yl-(3-methylphenyl)methyl]-1H-benzimidazole
CID 14518485
4-[amino(3H-benzimidazol-5-yl)methyl]cyclohexan-1-amine
CID 116937177
2-(3H-benzimidazol-5-yl)-2-cyclohexylacetic acid
CID 82500032
6-(dimethoxymethyl)-1H-benzimidazole
CID 141171021
1-(azetidin-3-yl)-1-(3H-benzimidazol-5-yl)-N,N-dimethylmethanamine
CID 116906262
N-[(S)-3H-benzimidazol-5-yl(cyclopropyl)methyl]-4,4,4-trifluorobutanamide
CID 171777859
6-pentan-3-yl-1H-benzimidazole
CID 134401277
2-amino-2-(3H-benzimidazol-5-yl)ethanol
CID 70374087
N-[amino(3H-benzimidazol-5-yl)methyl]hydroxylamine
CID 163537798
CID 157410638
CID 157410638
1,3-bis(3H-benzimidazol-5-yl)-1,3-dibromopropan-2-one
CID 22163885
(2S)-2-amino-2-(3H-benzimidazol-5-yl)ethanol
CID 96741805

Frequently Asked Questions

What is the IUPAC name of 6-[cyclopropyl(imidazol-1-yl)methyl]-1H-benzimidazole?
The IUPAC name of 6-[cyclopropyl(imidazol-1-yl)methyl]-1H-benzimidazole (CID 14518486) is 6-[cyclopropyl(imidazol-1-yl)methyl]-1H-benzimidazole.
What is the SMILES notation for 6-[cyclopropyl(imidazol-1-yl)methyl]-1H-benzimidazole?
The canonical SMILES for 6-[cyclopropyl(imidazol-1-yl)methyl]-1H-benzimidazole is c1cn(C(c2ccc3nc[nH]c3c2)C2CC2)cn1.
What is the InChIKey of 6-[cyclopropyl(imidazol-1-yl)methyl]-1H-benzimidazole?
The InChIKey is ODXYSKGHGIBNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-2-10(1)14(18-6-5-15-9-18)11-3-4-12-13(7-11)17-8-16-12/h3-10,14H,1-2H2,(H,16,17).
What are the key properties of 6-[cyclopropyl(imidazol-1-yl)methyl]-1H-benzimidazole?
6-[cyclopropyl(imidazol-1-yl)methyl]-1H-benzimidazole has a molecular weight of 238.29 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclopropyl(imidazol-1-yl)methyl]-1H-benzimidazole is sourced from PubChem (CID 14518486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).