6-chloro-1-cyclopropyl-2-(piperidin-4-ylmethyl)benzimidazole

C16H20ClN3 — CID 115473348

IUPAC6-chloro-1-cyclopropyl-2-(piperidin-4-ylmethyl)benzimidazole
SMILESClc1ccc2nc(CC3CCNCC3)n(C3CC3)c2c1
InChIInChI=1S/C16H20ClN3/c17-12-1-4-14-15(10-12)20(13-2-3-13)16(19-14)9-11-5-7-18-8-6-11/h1,4,10-11,13,18H,2-3,5-9H2
InChIKeyQBCVAUNXJKELQG-UHFFFAOYSA-N
MW289.81 g/mol
LogP3.57
Rot. Bonds3

About 6-chloro-1-cyclopropyl-2-(piperidin-4-ylmethyl)benzimidazole

6-chloro-1-cyclopropyl-2-(piperidin-4-ylmethyl)benzimidazole (PubChem CID 115473348) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is 6-chloro-1-cyclopropyl-2-(piperidin-4-ylmethyl)benzimidazole.

Molecular Properties

Compound Name6-chloro-1-cyclopropyl-2-(piperidin-4-ylmethyl)benzimidazole
PubChem CID115473348
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC Name6-chloro-1-cyclopropyl-2-(piperidin-4-ylmethyl)benzimidazole
SMILESClc1ccc2nc(CC3CCNCC3)n(C3CC3)c2c1
InChIInChI=1S/C16H20ClN3/c17-12-1-4-14-15(10-12)20(13-2-3-13)16(19-14)9-11-5-7-18-8-6-11/h1,4,10-11,13,18H,2-3,5-9H2
InChIKeyQBCVAUNXJKELQG-UHFFFAOYSA-N
XLogP3.57
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-2-(piperidin-4-ylmethyl)benzimidazole
CID 79615142
2-[(6-chloro-1-cyclopropylbenzimidazol-2-yl)methyl]morpholine
CID 115473204
6-chloro-1-cyclopropyl-2-(1,4-diazepan-1-ylmethyl)benzimidazole
CID 115473196
6-chloro-2-(chloromethyl)-1-cyclopentylbenzimidazole
CID 115470830
6-chloro-1-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole
CID 84633641
5-chloro-2-(piperidin-4-ylmethyl)-1-propylbenzimidazole
CID 79615143
6-chloro-2-(chloromethyl)-1-(3-methylcyclopentyl)benzimidazole
CID 114548595
2-[(6-chloro-1-cyclopropylbenzimidazol-2-yl)methyl]butan-1-amine
CID 115473342
4-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-3,3-dimethylbutanoic acid
CID 115472319
1-cyclopropyl-2-(piperidin-3-ylmethyl)benzimidazole
CID 62689106
6-chloro-1-cyclopropyl-2-(3-propylpyrrolidin-3-yl)benzimidazole
CID 115473331
6-chloro-2-(1-chloroethyl)-1-cyclopropylbenzimidazole
CID 115470825

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-cyclopropyl-2-(piperidin-4-ylmethyl)benzimidazole?
The IUPAC name of 6-chloro-1-cyclopropyl-2-(piperidin-4-ylmethyl)benzimidazole (CID 115473348) is 6-chloro-1-cyclopropyl-2-(piperidin-4-ylmethyl)benzimidazole.
What is the SMILES notation for 6-chloro-1-cyclopropyl-2-(piperidin-4-ylmethyl)benzimidazole?
The canonical SMILES for 6-chloro-1-cyclopropyl-2-(piperidin-4-ylmethyl)benzimidazole is Clc1ccc2nc(CC3CCNCC3)n(C3CC3)c2c1.
What is the InChIKey of 6-chloro-1-cyclopropyl-2-(piperidin-4-ylmethyl)benzimidazole?
The InChIKey is QBCVAUNXJKELQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c17-12-1-4-14-15(10-12)20(13-2-3-13)16(19-14)9-11-5-7-18-8-6-11/h1,4,10-11,13,18H,2-3,5-9H2.
What are the key properties of 6-chloro-1-cyclopropyl-2-(piperidin-4-ylmethyl)benzimidazole?
6-chloro-1-cyclopropyl-2-(piperidin-4-ylmethyl)benzimidazole has a molecular weight of 289.81 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-cyclopropyl-2-(piperidin-4-ylmethyl)benzimidazole is sourced from PubChem (CID 115473348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).