N-methyl-N-(piperidin-4-ylmethyl)-1H-benzimidazol-2-amine;hydrochloride

C14H21ClN4 — CID 71642448

IUPACN-methyl-N-(piperidin-4-ylmethyl)-1H-benzimidazol-2-amine;hydrochloride
SMILESCN(CC1CCNCC1)c1nc2ccccc2[nH]1.Cl
InChIInChI=1S/C14H20N4.ClH/c1-18(10-11-6-8-15-9-7-11)14-16-12-4-2-3-5-13(12)17-14;/h2-5,11,15H,6-10H2,1H3,(H,16,17);1H
InChIKeyIIGTWNPOTGUURU-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.42
Rot. Bonds3

About N-methyl-N-(piperidin-4-ylmethyl)-1H-benzimidazol-2-amine;hydrochloride

N-methyl-N-(piperidin-4-ylmethyl)-1H-benzimidazol-2-amine;hydrochloride (PubChem CID 71642448) has the molecular formula C14H21ClN4 and a molecular weight of 280.80 g/mol. Its IUPAC name is N-methyl-N-(piperidin-4-ylmethyl)-1H-benzimidazol-2-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-(piperidin-4-ylmethyl)-1H-benzimidazol-2-amine;hydrochloride
PubChem CID71642448
Molecular FormulaC14H21ClN4
Molecular Weight280.80 g/mol
Exact Mass280.15
IUPAC NameN-methyl-N-(piperidin-4-ylmethyl)-1H-benzimidazol-2-amine;hydrochloride
SMILESCN(CC1CCNCC1)c1nc2ccccc2[nH]1.Cl
InChIInChI=1S/C14H20N4.ClH/c1-18(10-11-6-8-15-9-7-11)14-16-12-4-2-3-5-13(12)17-14;/h2-5,11,15H,6-10H2,1H3,(H,16,17);1H
InChIKeyIIGTWNPOTGUURU-UHFFFAOYSA-N
XLogP2.42
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclopentylethyl)-N-methyl-1H-benzimidazol-2-amine
CID 115143924
N-methyl-N-(piperidin-4-ylmethyl)quinoxalin-2-amine;hydrochloride
CID 71642440
ethane;2-(piperidin-4-ylmethyl)-1H-benzimidazole
CID 162156839
2-(piperidin-4-ylmethyl)-1H-benzimidazole
CID 14012861
N-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]-1H-imidazo[4,5-b]pyridin-2-amine
CID 97164634
N-methyl-N-(piperidin-4-ylmethyl)quinoxalin-2-amine
CID 71642441
N-methyl-6-nitro-N-[[(3S)-pyrrolidin-3-yl]methyl]-1H-benzimidazol-2-amine
CID 97164612
N-methyl-N-(pyrrolidin-3-ylmethyl)-1,3-benzothiazol-2-amine
CID 71642311
N-cyclobutyl-N-methyl-1H-benzimidazol-2-amine
CID 115143834
N,N-dimethyl-1H-benzimidazol-2-amine
CID 17846
N-butyl-N-methyl-1H-benzimidazol-2-amine
CID 71723451
N-(2-chloropropyl)-N-methyl-1H-benzimidazol-2-amine
CID 63392162

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(piperidin-4-ylmethyl)-1H-benzimidazol-2-amine;hydrochloride?
The IUPAC name of N-methyl-N-(piperidin-4-ylmethyl)-1H-benzimidazol-2-amine;hydrochloride (CID 71642448) is N-methyl-N-(piperidin-4-ylmethyl)-1H-benzimidazol-2-amine;hydrochloride.
What is the SMILES notation for N-methyl-N-(piperidin-4-ylmethyl)-1H-benzimidazol-2-amine;hydrochloride?
The canonical SMILES for N-methyl-N-(piperidin-4-ylmethyl)-1H-benzimidazol-2-amine;hydrochloride is CN(CC1CCNCC1)c1nc2ccccc2[nH]1.Cl.
What is the InChIKey of N-methyl-N-(piperidin-4-ylmethyl)-1H-benzimidazol-2-amine;hydrochloride?
The InChIKey is IIGTWNPOTGUURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4.ClH/c1-18(10-11-6-8-15-9-7-11)14-16-12-4-2-3-5-13(12)17-14;/h2-5,11,15H,6-10H2,1H3,(H,16,17);1H.
What are the key properties of N-methyl-N-(piperidin-4-ylmethyl)-1H-benzimidazol-2-amine;hydrochloride?
N-methyl-N-(piperidin-4-ylmethyl)-1H-benzimidazol-2-amine;hydrochloride has a molecular weight of 280.80 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(piperidin-4-ylmethyl)-1H-benzimidazol-2-amine;hydrochloride is sourced from PubChem (CID 71642448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).