N-(1H-benzimidazol-2-ylmethyl)-N-methylazepan-4-amine

C15H22N4 — CID 107173191

IUPACN-(1H-benzimidazol-2-ylmethyl)-N-methylazepan-4-amine
SMILESCN(Cc1nc2ccccc2[nH]1)C1CCCNCC1
InChIInChI=1S/C15H22N4/c1-19(12-5-4-9-16-10-8-12)11-15-17-13-6-2-3-7-14(13)18-15/h2-3,6-7,12,16H,4-5,8-11H2,1H3,(H,17,18)
InChIKeyXZIUCEMCJQGIKY-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.14
Rot. Bonds3

About N-(1H-benzimidazol-2-ylmethyl)-N-methylazepan-4-amine

N-(1H-benzimidazol-2-ylmethyl)-N-methylazepan-4-amine (PubChem CID 107173191) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-N-methylazepan-4-amine.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-N-methylazepan-4-amine
PubChem CID107173191
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-N-methylazepan-4-amine
SMILESCN(Cc1nc2ccccc2[nH]1)C1CCCNCC1
InChIInChI=1S/C15H22N4/c1-19(12-5-4-9-16-10-8-12)11-15-17-13-6-2-3-7-14(13)18-15/h2-3,6-7,12,16H,4-5,8-11H2,1H3,(H,17,18)
InChIKeyXZIUCEMCJQGIKY-UHFFFAOYSA-N
XLogP2.14
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(1H-benzimidazol-2-ylmethyl)-4-N-methylcyclohexane-1,4-diamine
CID 79121832
N-(1H-benzimidazol-2-ylmethyl)-N-propylpiperidin-3-amine
CID 63637511
2-[1H-benzimidazol-2-ylmethyl(methyl)amino]cyclohexan-1-ol
CID 102636442
ethane;2-(piperidin-4-ylmethyl)-1H-benzimidazole
CID 162156839
2-(piperidin-4-ylmethyl)-1H-benzimidazole
CID 14012861
N-(1H-benzimidazol-2-ylmethyl)azepan-4-amine
CID 103982041
1-(5-amino-1H-1,2,4-triazol-3-yl)-N-(1H-benzimidazol-2-ylmethyl)-N-methylpiperidin-4-amine
CID 118165359
3-[[cyclohexyl(methyl)amino]methyl]-1H-quinoxalin-2-one
CID 86774445
2-[[cyclohexyl(methyl)amino]methyl]-3H-benzimidazol-5-amine
CID 43375602
2-[[cycloheptyl(methyl)amino]methyl]-3H-quinazolin-4-one
CID 135850085
N-(1H-benzimidazol-2-ylmethyl)-N-methylcyclohexanecarboxamide
CID 36516588
2-N,3-N-bis(1H-benzimidazol-2-ylmethyl)-2-N,3-N-dimethyl-1,4-diphenylbutane-2,3-diamine
CID 175787305

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-N-methylazepan-4-amine?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-N-methylazepan-4-amine (CID 107173191) is N-(1H-benzimidazol-2-ylmethyl)-N-methylazepan-4-amine.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-N-methylazepan-4-amine?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-N-methylazepan-4-amine is CN(Cc1nc2ccccc2[nH]1)C1CCCNCC1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-N-methylazepan-4-amine?
The InChIKey is XZIUCEMCJQGIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-19(12-5-4-9-16-10-8-12)11-15-17-13-6-2-3-7-14(13)18-15/h2-3,6-7,12,16H,4-5,8-11H2,1H3,(H,17,18).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-N-methylazepan-4-amine?
N-(1H-benzimidazol-2-ylmethyl)-N-methylazepan-4-amine has a molecular weight of 258.37 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-N-methylazepan-4-amine is sourced from PubChem (CID 107173191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).