6-chloro-1-cyclopropyl-2-(1,4-diazepan-1-ylmethyl)benzimidazole

C16H21ClN4 — CID 115473196

IUPAC6-chloro-1-cyclopropyl-2-(1,4-diazepan-1-ylmethyl)benzimidazole
SMILESClc1ccc2nc(CN3CCCNCC3)n(C3CC3)c2c1
InChIInChI=1S/C16H21ClN4/c17-12-2-5-14-15(10-12)21(13-3-4-13)16(19-14)11-20-8-1-6-18-7-9-20/h2,5,10,13,18H,1,3-4,6-9,11H2
InChIKeyLFVZPJZAZGXSDS-UHFFFAOYSA-N
MW304.82 g/mol
LogP2.82
Rot. Bonds3

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

6-chloro-1-cyclopropyl-2-(1,4-diazepan-1-ylmethyl)benzimidazole (PubChem CID 115473196) has the molecular formula C16H21ClN4 and a molecular weight of 304.82 g/mol. Its IUPAC name is 6-chloro-1-cyclopropyl-2-(1,4-diazepan-1-ylmethyl)benzimidazole.

Molecular Properties

Compound Name6-chloro-1-cyclopropyl-2-(1,4-diazepan-1-ylmethyl)benzimidazole
PubChem CID115473196
Molecular FormulaC16H21ClN4
Molecular Weight304.82 g/mol
Exact Mass304.15
IUPAC Name6-chloro-1-cyclopropyl-2-(1,4-diazepan-1-ylmethyl)benzimidazole
SMILESClc1ccc2nc(CN3CCCNCC3)n(C3CC3)c2c1
InChIInChI=1S/C16H21ClN4/c17-12-2-5-14-15(10-12)21(13-3-4-13)16(19-14)11-20-8-1-6-18-7-9-20/h2,5,10,13,18H,1,3-4,6-9,11H2
InChIKeyLFVZPJZAZGXSDS-UHFFFAOYSA-N
XLogP2.82
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-cyclopropyl-2-(1,4-diazepan-1-ylmethyl)benzimidazole?
The IUPAC name of 6-chloro-1-cyclopropyl-2-(1,4-diazepan-1-ylmethyl)benzimidazole (CID 115473196) is 6-chloro-1-cyclopropyl-2-(1,4-diazepan-1-ylmethyl)benzimidazole.
What is the SMILES notation for 6-chloro-1-cyclopropyl-2-(1,4-diazepan-1-ylmethyl)benzimidazole?
The canonical SMILES for 6-chloro-1-cyclopropyl-2-(1,4-diazepan-1-ylmethyl)benzimidazole is Clc1ccc2nc(CN3CCCNCC3)n(C3CC3)c2c1.
What is the InChIKey of 6-chloro-1-cyclopropyl-2-(1,4-diazepan-1-ylmethyl)benzimidazole?
The InChIKey is LFVZPJZAZGXSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4/c17-12-2-5-14-15(10-12)21(13-3-4-13)16(19-14)11-20-8-1-6-18-7-9-20/h2,5,10,13,18H,1,3-4,6-9,11H2.
What are the key properties of 6-chloro-1-cyclopropyl-2-(1,4-diazepan-1-ylmethyl)benzimidazole?
6-chloro-1-cyclopropyl-2-(1,4-diazepan-1-ylmethyl)benzimidazole has a molecular weight of 304.82 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-cyclopropyl-2-(1,4-diazepan-1-ylmethyl)benzimidazole is sourced from PubChem (CID 115473196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).