4-[(2-methyl-3H-benzimidazol-5-yl)methyl]cyclohexan-1-amine

C15H21N3 — CID 116926269

IUPAC4-[(2-methyl-3H-benzimidazol-5-yl)methyl]cyclohexan-1-amine
SMILESCc1nc2ccc(CC3CCC(N)CC3)cc2[nH]1
InChIInChI=1S/C15H21N3/c1-10-17-14-7-4-12(9-15(14)18-10)8-11-2-5-13(16)6-3-11/h4,7,9,11,13H,2-3,5-6,8,16H2,1H3,(H,17,18)
InChIKeyRCBJNCTYQMYIPL-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.93
Rot. Bonds2

About 4-[(2-methyl-3H-benzimidazol-5-yl)methyl]cyclohexan-1-amine

4-[(2-methyl-3H-benzimidazol-5-yl)methyl]cyclohexan-1-amine (PubChem CID 116926269) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-[(2-methyl-3H-benzimidazol-5-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[(2-methyl-3H-benzimidazol-5-yl)methyl]cyclohexan-1-amine
PubChem CID116926269
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name4-[(2-methyl-3H-benzimidazol-5-yl)methyl]cyclohexan-1-amine
SMILESCc1nc2ccc(CC3CCC(N)CC3)cc2[nH]1
InChIInChI=1S/C15H21N3/c1-10-17-14-7-4-12(9-15(14)18-10)8-11-2-5-13(16)6-3-11/h4,7,9,11,13H,2-3,5-6,8,16H2,1H3,(H,17,18)
InChIKeyRCBJNCTYQMYIPL-UHFFFAOYSA-N
XLogP2.93
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S,5R)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-(2-methyl-3H-benzimidazol-5-yl)ethanone;dihydrochloride
CID 154907116
4-[(6-methylnaphthalen-2-yl)methyl]cyclohexan-1-amine
CID 116926287
6-(2-bromoethyl)-2-methyl-1H-benzimidazole;ethane
CID 90818369
4-amino-N-(2-methyl-3H-benzimidazol-5-yl)cyclohexane-1-carboxamide
CID 60851207
2-methyl-1-(2-methyl-3H-benzimidazol-5-yl)propan-2-ol
CID 116928691
N'-cyclopropyl-N-[2-(2-methyl-3H-benzimidazol-5-yl)ethyl]ethane-1,2-diamine
CID 115207103
2-methyl-6-(2-piperidin-2-ylethyl)-1H-benzimidazole
CID 116925567
N-(hydrazinylmethyl)-1-(2-methyl-3H-benzimidazol-5-yl)methanamine
CID 115260836
2-(cyclobutylmethyl)-6-ethyl-1H-benzimidazole
CID 103164535
[1-[(2-methyl-3H-benzimidazol-5-yl)methyl]cyclobutyl]methanamine
CID 116929339
4-[(3,4-dichlorophenyl)methyl]cyclohexan-1-amine
CID 83262000
2-(2-methyl-3H-benzimidazol-5-yl)-N-(pyrrolidin-3-ylmethyl)ethanamine
CID 115209022

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-3H-benzimidazol-5-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 4-[(2-methyl-3H-benzimidazol-5-yl)methyl]cyclohexan-1-amine (CID 116926269) is 4-[(2-methyl-3H-benzimidazol-5-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[(2-methyl-3H-benzimidazol-5-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-[(2-methyl-3H-benzimidazol-5-yl)methyl]cyclohexan-1-amine is Cc1nc2ccc(CC3CCC(N)CC3)cc2[nH]1.
What is the InChIKey of 4-[(2-methyl-3H-benzimidazol-5-yl)methyl]cyclohexan-1-amine?
The InChIKey is RCBJNCTYQMYIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-10-17-14-7-4-12(9-15(14)18-10)8-11-2-5-13(16)6-3-11/h4,7,9,11,13H,2-3,5-6,8,16H2,1H3,(H,17,18).
What are the key properties of 4-[(2-methyl-3H-benzimidazol-5-yl)methyl]cyclohexan-1-amine?
4-[(2-methyl-3H-benzimidazol-5-yl)methyl]cyclohexan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-3H-benzimidazol-5-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 116926269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).