1-cyclopropyl-5-(piperidin-2-ylmethyl)benzimidazole

C16H21N3 — CID 82499656

IUPAC1-cyclopropyl-5-(piperidin-2-ylmethyl)benzimidazole
SMILESc1cc2c(cc1CC1CCCCN1)ncn2C1CC1
InChIInChI=1S/C16H21N3/c1-2-8-17-13(3-1)9-12-4-7-16-15(10-12)18-11-19(16)14-5-6-14/h4,7,10-11,13-14,17H,1-3,5-6,8-9H2
InChIKeyMDMGWQSOMPYPQZ-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.06
Rot. Bonds3

About 1-cyclopropyl-5-(piperidin-2-ylmethyl)benzimidazole

1-cyclopropyl-5-(piperidin-2-ylmethyl)benzimidazole (PubChem CID 82499656) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-cyclopropyl-5-(piperidin-2-ylmethyl)benzimidazole.

Molecular Properties

Compound Name1-cyclopropyl-5-(piperidin-2-ylmethyl)benzimidazole
PubChem CID82499656
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name1-cyclopropyl-5-(piperidin-2-ylmethyl)benzimidazole
SMILESc1cc2c(cc1CC1CCCCN1)ncn2C1CC1
InChIInChI=1S/C16H21N3/c1-2-8-17-13(3-1)9-12-4-7-16-15(10-12)18-11-19(16)14-5-6-14/h4,7,10-11,13-14,17H,1-3,5-6,8-9H2
InChIKeyMDMGWQSOMPYPQZ-UHFFFAOYSA-N
XLogP3.06
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-propan-2-yl-5-(pyrrolidin-2-ylmethyl)benzimidazole
CID 82497436
N-[(1-cyclopropylbenzimidazol-5-yl)methyl]propan-2-amine
CID 82495016
3-(1-cyclopropylbenzimidazol-5-yl)propan-1-amine
CID 82492930
2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)piperidine
CID 117360963
5-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole
CID 82279461
(2S)-2-(naphthalen-2-ylmethyl)piperidine
CID 94603397
2-[(3,4-diethoxyphenyl)methyl]piperidine
CID 62791915
2-methyl-6-(piperidin-2-ylmethyl)-1,3-benzoxazole
CID 82495132
(2R)-2-[(4-methylphenyl)methyl]piperidine
CID 7048103
5-bromo-1-cyclopropylbenzimidazole
CID 82496945
5-chloro-1-cyclohexylbenzimidazole
CID 15429072
N'-[(1-cyclopropylbenzimidazol-5-yl)methyl]-N'-methylethane-1,2-diamine
CID 96674922

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-(piperidin-2-ylmethyl)benzimidazole?
The IUPAC name of 1-cyclopropyl-5-(piperidin-2-ylmethyl)benzimidazole (CID 82499656) is 1-cyclopropyl-5-(piperidin-2-ylmethyl)benzimidazole.
What is the SMILES notation for 1-cyclopropyl-5-(piperidin-2-ylmethyl)benzimidazole?
The canonical SMILES for 1-cyclopropyl-5-(piperidin-2-ylmethyl)benzimidazole is c1cc2c(cc1CC1CCCCN1)ncn2C1CC1.
What is the InChIKey of 1-cyclopropyl-5-(piperidin-2-ylmethyl)benzimidazole?
The InChIKey is MDMGWQSOMPYPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-2-8-17-13(3-1)9-12-4-7-16-15(10-12)18-11-19(16)14-5-6-14/h4,7,10-11,13-14,17H,1-3,5-6,8-9H2.
What are the key properties of 1-cyclopropyl-5-(piperidin-2-ylmethyl)benzimidazole?
1-cyclopropyl-5-(piperidin-2-ylmethyl)benzimidazole has a molecular weight of 255.36 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-(piperidin-2-ylmethyl)benzimidazole is sourced from PubChem (CID 82499656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).