1H-benzimidazol-2-yl(piperidin-4-yl)methanamine

C13H18N4 — CID 69063940

IUPAC1H-benzimidazol-2-yl(piperidin-4-yl)methanamine
SMILESNC(c1nc2ccccc2[nH]1)C1CCNCC1
InChIInChI=1S/C13H18N4/c14-12(9-5-7-15-8-6-9)13-16-10-3-1-2-4-11(10)17-13/h1-4,9,12,15H,5-8,14H2,(H,16,17)
InChIKeyHNJXGNQWAVXRCV-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.56
Rot. Bonds2

About 1H-benzimidazol-2-yl(piperidin-4-yl)methanamine

1H-benzimidazol-2-yl(piperidin-4-yl)methanamine (PubChem CID 69063940) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl(piperidin-4-yl)methanamine.

Molecular Properties

Compound Name1H-benzimidazol-2-yl(piperidin-4-yl)methanamine
PubChem CID69063940
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name1H-benzimidazol-2-yl(piperidin-4-yl)methanamine
SMILESNC(c1nc2ccccc2[nH]1)C1CCNCC1
InChIInChI=1S/C13H18N4/c14-12(9-5-7-15-8-6-9)13-16-10-3-1-2-4-11(10)17-13/h1-4,9,12,15H,5-8,14H2,(H,16,17)
InChIKeyHNJXGNQWAVXRCV-UHFFFAOYSA-N
XLogP1.56
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[amino(cyclopropyl)methyl]-3H-benzimidazol-5-ol
CID 81432300
2-(piperidin-4-ylmethyl)-1H-benzimidazole
CID 14012861
2-[piperidin-4-yloxy(thiophen-3-yl)methyl]-1H-benzimidazole
CID 66836065
(R)-1H-benzimidazol-2-yl-[(2S)-5,5-difluorooxan-2-yl]methanamine
CID 175873657
(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropan-1-amine;dihydrochloride
CID 112756298
1H-benzimidazol-2-yl(piperidin-4-yl)methanone
CID 18333277
2-[cyclohexyl(phenyl)methyl]-1H-benzimidazole
CID 11426309
bis(1H-benzimidazol-2-yl)methanol
CID 3747179
2-propan-2-yl-1H-benzimidazole
CID 22121
(R)-piperidin-4-yl(quinolin-4-yl)methanamine;hydrochloride
CID 171314768
ethane;2-(piperidin-4-ylmethyl)-1H-benzimidazole
CID 162156839
N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]piperidine-4-carboxamide;dihydrochloride
CID 119855269

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-yl(piperidin-4-yl)methanamine?
The IUPAC name of 1H-benzimidazol-2-yl(piperidin-4-yl)methanamine (CID 69063940) is 1H-benzimidazol-2-yl(piperidin-4-yl)methanamine.
What is the SMILES notation for 1H-benzimidazol-2-yl(piperidin-4-yl)methanamine?
The canonical SMILES for 1H-benzimidazol-2-yl(piperidin-4-yl)methanamine is NC(c1nc2ccccc2[nH]1)C1CCNCC1.
What is the InChIKey of 1H-benzimidazol-2-yl(piperidin-4-yl)methanamine?
The InChIKey is HNJXGNQWAVXRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c14-12(9-5-7-15-8-6-9)13-16-10-3-1-2-4-11(10)17-13/h1-4,9,12,15H,5-8,14H2,(H,16,17).
What are the key properties of 1H-benzimidazol-2-yl(piperidin-4-yl)methanamine?
1H-benzimidazol-2-yl(piperidin-4-yl)methanamine has a molecular weight of 230.31 g/mol, XLogP of 1.56, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazol-2-yl(piperidin-4-yl)methanamine is sourced from PubChem (CID 69063940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).