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

C13H19ClN4 — CID 71636788

IUPACN-(piperidin-2-ylmethyl)-1H-benzimidazol-2-amine;hydrochloride
SMILESCl.c1ccc2[nH]c(NCC3CCCCN3)nc2c1
InChIInChI=1S/C13H18N4.ClH/c1-2-7-12-11(6-1)16-13(17-12)15-9-10-5-3-4-8-14-10;/h1-2,6-7,10,14H,3-5,8-9H2,(H2,15,16,17);1H
InChIKeyHNUVGQGOLTXENS-UHFFFAOYSA-N
MW266.78 g/mol
LogP2.54
Rot. Bonds3

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

N-(piperidin-2-ylmethyl)-1H-benzimidazol-2-amine;hydrochloride (PubChem CID 71636788) has the molecular formula C13H19ClN4 and a molecular weight of 266.78 g/mol. Its IUPAC name is N-(piperidin-2-ylmethyl)-1H-benzimidazol-2-amine;hydrochloride.

Molecular Properties

Compound NameN-(piperidin-2-ylmethyl)-1H-benzimidazol-2-amine;hydrochloride
PubChem CID71636788
Molecular FormulaC13H19ClN4
Molecular Weight266.78 g/mol
Exact Mass266.13
IUPAC NameN-(piperidin-2-ylmethyl)-1H-benzimidazol-2-amine;hydrochloride
SMILESCl.c1ccc2[nH]c(NCC3CCCCN3)nc2c1
InChIInChI=1S/C13H18N4.ClH/c1-2-7-12-11(6-1)16-13(17-12)15-9-10-5-3-4-8-14-10;/h1-2,6-7,10,14H,3-5,8-9H2,(H2,15,16,17);1H
InChIKeyHNUVGQGOLTXENS-UHFFFAOYSA-N
XLogP2.54
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.78
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(piperidin-2-ylmethyl)-1H-imidazo[4,5-b]pyridin-2-amine;hydrochloride
CID 71636800
N-(cyclohexylmethyl)-1H-benzimidazol-2-amine
CID 18685672
N-cyclooctyl-1H-benzimidazol-2-amine
CID 46784683
3-chloro-N-[[(2R)-piperidin-2-yl]methyl]quinoxalin-2-amine
CID 97164042
3-N-[[(2S)-piperidin-2-yl]methyl]quinoxaline-2,3-diamine
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N-[(2-cyclobutyloxyphenyl)methyl]-1H-benzimidazol-2-amine
CID 133410366
(2S)-N-(1H-benzimidazol-2-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119261485
N-prop-2-enyl-1H-benzimidazol-2-amine
CID 11171255
3-(1H-benzimidazol-2-yl)-6-chloro-N-(pyrrolidin-2-ylmethyl)quinolin-4-amine
CID 141086265
3-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoxaline-2,3-diamine
CID 97165181
2-N-methyl-3-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoxaline-2,3-diamine
CID 97164706
N-[(3R)-piperidin-3-yl]-1H-benzimidazol-2-amine;hydrochloride
CID 71637322

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-2-ylmethyl)-1H-benzimidazol-2-amine;hydrochloride?
The IUPAC name of N-(piperidin-2-ylmethyl)-1H-benzimidazol-2-amine;hydrochloride (CID 71636788) is N-(piperidin-2-ylmethyl)-1H-benzimidazol-2-amine;hydrochloride.
What is the SMILES notation for N-(piperidin-2-ylmethyl)-1H-benzimidazol-2-amine;hydrochloride?
The canonical SMILES for N-(piperidin-2-ylmethyl)-1H-benzimidazol-2-amine;hydrochloride is Cl.c1ccc2[nH]c(NCC3CCCCN3)nc2c1.
What is the InChIKey of N-(piperidin-2-ylmethyl)-1H-benzimidazol-2-amine;hydrochloride?
The InChIKey is HNUVGQGOLTXENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4.ClH/c1-2-7-12-11(6-1)16-13(17-12)15-9-10-5-3-4-8-14-10;/h1-2,6-7,10,14H,3-5,8-9H2,(H2,15,16,17);1H.
What are the key properties of N-(piperidin-2-ylmethyl)-1H-benzimidazol-2-amine;hydrochloride?
N-(piperidin-2-ylmethyl)-1H-benzimidazol-2-amine;hydrochloride has a molecular weight of 266.78 g/mol, XLogP of 2.54, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-2-ylmethyl)-1H-benzimidazol-2-amine;hydrochloride is sourced from PubChem (CID 71636788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).