1-cyclopropyl-2-(piperidin-3-ylmethyl)benzimidazole

C16H21N3 — CID 62689106

IUPAC1-cyclopropyl-2-(piperidin-3-ylmethyl)benzimidazole
SMILESc1ccc2c(c1)nc(CC1CCCNC1)n2C1CC1
InChIInChI=1S/C16H21N3/c1-2-6-15-14(5-1)18-16(19(15)13-7-8-13)10-12-4-3-9-17-11-12/h1-2,5-6,12-13,17H,3-4,7-11H2
InChIKeyJNZPLKNWWCCGIQ-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.91
Rot. Bonds3

About 1-cyclopropyl-2-(piperidin-3-ylmethyl)benzimidazole

1-cyclopropyl-2-(piperidin-3-ylmethyl)benzimidazole (PubChem CID 62689106) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-cyclopropyl-2-(piperidin-3-ylmethyl)benzimidazole.

Molecular Properties

Compound Name1-cyclopropyl-2-(piperidin-3-ylmethyl)benzimidazole
PubChem CID62689106
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name1-cyclopropyl-2-(piperidin-3-ylmethyl)benzimidazole
SMILESc1ccc2c(c1)nc(CC1CCCNC1)n2C1CC1
InChIInChI=1S/C16H21N3/c1-2-6-15-14(5-1)18-16(19(15)13-7-8-13)10-12-4-3-9-17-11-12/h1-2,5-6,12-13,17H,3-4,7-11H2
InChIKeyJNZPLKNWWCCGIQ-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-2-(piperidin-4-ylmethyl)benzimidazole
CID 79615142
1-cyclopropyl-2-(piperidin-3-ylmethoxy)benzimidazole
CID 165354182
1-(2-methoxyethyl)-2-(piperidin-3-ylmethyl)benzimidazole
CID 62689788
2-ethyl-1-(piperidin-3-ylmethyl)benzimidazole
CID 63106528
1-(1-cyclopropylbenzimidazol-2-yl)-N-methylmethanamine
CID 43142730
N,N-dimethyl-1-[1-(piperidin-3-ylmethyl)benzimidazol-2-yl]methanamine
CID 82311900
2-(chloromethyl)-1-cyclobutylbenzimidazole
CID 62416767
3-(piperidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117253044
1-piperidin-4-yl-2-propylbenzimidazole
CID 82063740
1-[1-(cyclopentylmethyl)piperidin-4-yl]-2-pyrrolidin-3-ylbenzimidazole
CID 118877726
3-pyrrolidin-2-yl-2-(pyrrolidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117161180
1-cyclopropyl-2-(2-piperidin-4-yloxyethyl)benzimidazole
CID 63870232

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(piperidin-3-ylmethyl)benzimidazole?
The IUPAC name of 1-cyclopropyl-2-(piperidin-3-ylmethyl)benzimidazole (CID 62689106) is 1-cyclopropyl-2-(piperidin-3-ylmethyl)benzimidazole.
What is the SMILES notation for 1-cyclopropyl-2-(piperidin-3-ylmethyl)benzimidazole?
The canonical SMILES for 1-cyclopropyl-2-(piperidin-3-ylmethyl)benzimidazole is c1ccc2c(c1)nc(CC1CCCNC1)n2C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(piperidin-3-ylmethyl)benzimidazole?
The InChIKey is JNZPLKNWWCCGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-2-6-15-14(5-1)18-16(19(15)13-7-8-13)10-12-4-3-9-17-11-12/h1-2,5-6,12-13,17H,3-4,7-11H2.
What are the key properties of 1-cyclopropyl-2-(piperidin-3-ylmethyl)benzimidazole?
1-cyclopropyl-2-(piperidin-3-ylmethyl)benzimidazole has a molecular weight of 255.36 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(piperidin-3-ylmethyl)benzimidazole is sourced from PubChem (CID 62689106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).