2-(piperidin-4-ylmethyl)-1H-benzimidazole

C13H17N3 — CID 14012861

IUPAC2-(piperidin-4-ylmethyl)-1H-benzimidazole
SMILESc1ccc2[nH]c(CC3CCNCC3)nc2c1
InChIInChI=1S/C13H17N3/c1-2-4-12-11(3-1)15-13(16-12)9-10-5-7-14-8-6-10/h1-4,10,14H,5-9H2,(H,15,16)
InChIKeyAJDJDMWYUXQCIF-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.11
Rot. Bonds2

About 2-(piperidin-4-ylmethyl)-1H-benzimidazole

2-(piperidin-4-ylmethyl)-1H-benzimidazole (PubChem CID 14012861) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-(piperidin-4-ylmethyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(piperidin-4-ylmethyl)-1H-benzimidazole
PubChem CID14012861
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name2-(piperidin-4-ylmethyl)-1H-benzimidazole
SMILESc1ccc2[nH]c(CC3CCNCC3)nc2c1
InChIInChI=1S/C13H17N3/c1-2-4-12-11(3-1)15-13(16-12)9-10-5-7-14-8-6-10/h1-4,10,14H,5-9H2,(H,15,16)
InChIKeyAJDJDMWYUXQCIF-UHFFFAOYSA-N
XLogP2.11
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-(piperidin-4-ylmethyl)-1H-benzimidazole
CID 162156839
4-(1H-benzimidazol-2-ylmethyl)cyclohexane-1-carboxylic acid
CID 18378994
4-(1H-benzimidazol-2-ylmethyl)piperidine-1-carboxylic acid
CID 67434741
N-(1H-benzimidazol-2-ylmethyl)azepan-4-amine
CID 103982041
2-(2-piperazin-1-ylethyl)-1H-benzimidazole
CID 82474562
N-(1H-benzimidazol-2-ylmethyl)-N-methylazepan-4-amine
CID 107173191
2-[(3R,4S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]acetic acid;hydrochloride
CID 172884193
N-methyl-N-(piperidin-4-ylmethyl)-1H-benzimidazol-2-amine;hydrochloride
CID 71642448
3-(1H-benzimidazol-2-ylmethyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 63637202
N-(1H-benzimidazol-2-ylmethyl)-1-cyclopropylmethanamine
CID 43655401
2-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]-1H-benzimidazole
CID 46981222
N-(1H-benzimidazol-2-yl)-2-piperidin-4-ylacetamide
CID 119669181

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-4-ylmethyl)-1H-benzimidazole?
The IUPAC name of 2-(piperidin-4-ylmethyl)-1H-benzimidazole (CID 14012861) is 2-(piperidin-4-ylmethyl)-1H-benzimidazole.
What is the SMILES notation for 2-(piperidin-4-ylmethyl)-1H-benzimidazole?
The canonical SMILES for 2-(piperidin-4-ylmethyl)-1H-benzimidazole is c1ccc2[nH]c(CC3CCNCC3)nc2c1.
What is the InChIKey of 2-(piperidin-4-ylmethyl)-1H-benzimidazole?
The InChIKey is AJDJDMWYUXQCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-2-4-12-11(3-1)15-13(16-12)9-10-5-7-14-8-6-10/h1-4,10,14H,5-9H2,(H,15,16).
What are the key properties of 2-(piperidin-4-ylmethyl)-1H-benzimidazole?
2-(piperidin-4-ylmethyl)-1H-benzimidazole has a molecular weight of 215.30 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-4-ylmethyl)-1H-benzimidazole is sourced from PubChem (CID 14012861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).