N-[(1-methylbenzimidazol-2-yl)methyl]-4-propylcyclohexan-1-amine

C18H27N3 — CID 60665222

IUPACN-[(1-methylbenzimidazol-2-yl)methyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NCc2nc3ccccc3n2C)CC1
InChIInChI=1S/C18H27N3/c1-3-6-14-9-11-15(12-10-14)19-13-18-20-16-7-4-5-8-17(16)21(18)2/h4-5,7-8,14-15,19H,3,6,9-13H2,1-2H3
InChIKeyRNRUXCZXBWESKQ-UHFFFAOYSA-N
MW285.43 g/mol
LogP4.02
Rot. Bonds5

About N-[(1-methylbenzimidazol-2-yl)methyl]-4-propylcyclohexan-1-amine

N-[(1-methylbenzimidazol-2-yl)methyl]-4-propylcyclohexan-1-amine (PubChem CID 60665222) has the molecular formula C18H27N3 and a molecular weight of 285.43 g/mol. Its IUPAC name is N-[(1-methylbenzimidazol-2-yl)methyl]-4-propylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(1-methylbenzimidazol-2-yl)methyl]-4-propylcyclohexan-1-amine
PubChem CID60665222
Molecular FormulaC18H27N3
Molecular Weight285.43 g/mol
Exact Mass285.22
IUPAC NameN-[(1-methylbenzimidazol-2-yl)methyl]-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(NCc2nc3ccccc3n2C)CC1
InChIInChI=1S/C18H27N3/c1-3-6-14-9-11-15(12-10-14)19-13-18-20-16-7-4-5-8-17(16)21(18)2/h4-5,7-8,14-15,19H,3,6,9-13H2,1-2H3
InChIKeyRNRUXCZXBWESKQ-UHFFFAOYSA-N
XLogP4.02
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylbenzimidazol-2-yl)methyl]oxan-4-amine
CID 63001270
4-[(1-methylbenzimidazol-2-yl)methylamino]cyclohexane-1-carboxylic acid
CID 120509662
3-cyclopropyl-N-[(1-methylbenzimidazol-2-yl)methyl]propan-1-amine
CID 115639506
4-N-[(1-propylbenzimidazol-2-yl)methyl]cyclohexane-1,4-diamine
CID 62319804
N-[(1-methylbenzimidazol-2-yl)methyl]-1-methylsulfonylpiperidin-4-amine
CID 154747523
N-[(1-methylbenzimidazol-2-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 115614962
trans-(1R,2R)-2-[(1-methylbenzimidazol-2-yl)methylamino]cyclohexan-1-ol
CID 98562090
3-[(1-methylbenzimidazol-2-yl)methylamino]cyclohexan-1-ol
CID 63002126
N-[(1-methylbenzimidazol-2-yl)methyl]-1-(2-methylprop-2-enyl)piperidin-4-amine
CID 119124241
N-[(5-bromo-1-methylbenzimidazol-2-yl)methyl]cyclopropanamine
CID 60836537
2,2,3,3-tetramethyl-N-[(1-methylbenzimidazol-2-yl)methyl]cyclopropan-1-amine
CID 79351807
1-(1-ethylpiperidin-4-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine
CID 63378932

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylbenzimidazol-2-yl)methyl]-4-propylcyclohexan-1-amine?
The IUPAC name of N-[(1-methylbenzimidazol-2-yl)methyl]-4-propylcyclohexan-1-amine (CID 60665222) is N-[(1-methylbenzimidazol-2-yl)methyl]-4-propylcyclohexan-1-amine.
What is the SMILES notation for N-[(1-methylbenzimidazol-2-yl)methyl]-4-propylcyclohexan-1-amine?
The canonical SMILES for N-[(1-methylbenzimidazol-2-yl)methyl]-4-propylcyclohexan-1-amine is CCCC1CCC(NCc2nc3ccccc3n2C)CC1.
What is the InChIKey of N-[(1-methylbenzimidazol-2-yl)methyl]-4-propylcyclohexan-1-amine?
The InChIKey is RNRUXCZXBWESKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-3-6-14-9-11-15(12-10-14)19-13-18-20-16-7-4-5-8-17(16)21(18)2/h4-5,7-8,14-15,19H,3,6,9-13H2,1-2H3.
What are the key properties of N-[(1-methylbenzimidazol-2-yl)methyl]-4-propylcyclohexan-1-amine?
N-[(1-methylbenzimidazol-2-yl)methyl]-4-propylcyclohexan-1-amine has a molecular weight of 285.43 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylbenzimidazol-2-yl)methyl]-4-propylcyclohexan-1-amine is sourced from PubChem (CID 60665222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).