2-chloro-N-(3-methylbutyl)-4-(4-methylpiperazin-1-yl)benzimidazole-1-carboxamide

C18H26ClN5O — CID 175826593

IUPAC2-chloro-N-(3-methylbutyl)-4-(4-methylpiperazin-1-yl)benzimidazole-1-carboxamide
SMILESCC(C)CCNC(=O)n1c(Cl)nc2c(N3CCN(C)CC3)cccc21
InChIInChI=1S/C18H26ClN5O/c1-13(2)7-8-20-18(25)24-15-6-4-5-14(16(15)21-17(24)19)23-11-9-22(3)10-12-23/h4-6,13H,7-12H2,1-3H3,(H,20,25)
InChIKeyCEPPKDLYXMUKSF-UHFFFAOYSA-N
MW363.89 g/mol
LogP3.05
Rot. Bonds4

About 2-chloro-N-(3-methylbutyl)-4-(4-methylpiperazin-1-yl)benzimidazole-1-carboxamide

2-chloro-N-(3-methylbutyl)-4-(4-methylpiperazin-1-yl)benzimidazole-1-carboxamide (PubChem CID 175826593) has the molecular formula C18H26ClN5O and a molecular weight of 363.89 g/mol. Its IUPAC name is 2-chloro-N-(3-methylbutyl)-4-(4-methylpiperazin-1-yl)benzimidazole-1-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(3-methylbutyl)-4-(4-methylpiperazin-1-yl)benzimidazole-1-carboxamide
PubChem CID175826593
Molecular FormulaC18H26ClN5O
Molecular Weight363.89 g/mol
Exact Mass363.18
IUPAC Name2-chloro-N-(3-methylbutyl)-4-(4-methylpiperazin-1-yl)benzimidazole-1-carboxamide
SMILESCC(C)CCNC(=O)n1c(Cl)nc2c(N3CCN(C)CC3)cccc21
InChIInChI=1S/C18H26ClN5O/c1-13(2)7-8-20-18(25)24-15-6-4-5-14(16(15)21-17(24)19)23-11-9-22(3)10-12-23/h4-6,13H,7-12H2,1-3H3,(H,20,25)
InChIKeyCEPPKDLYXMUKSF-UHFFFAOYSA-N
XLogP3.05
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methylbutyl)-4-(4-methylpiperazin-1-yl)benzimidazole-1-carboxamide
CID 175826613
2-(3-methylbutyl)-4-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]benzimidazole-1-carboxamide
CID 175826587
4-[4-(1-methylazetidin-3-yl)piperazin-1-yl]-2-(3-methylbutyl)benzimidazole-1-carboxamide
CID 175826611
4-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)benzimidazole-1-carboxamide
CID 156708014
2-(3-cyclopropylprop-2-ynyl)-4-(4-methylpiperazin-1-yl)benzimidazole-1-carboxamide
CID 175826462
2-(3-methylbutyl)-4-(4-methyl-3-oxopiperazin-1-yl)benzimidazole-1-carboxamide
CID 175826544
4-(2,5-dimethylphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide
CID 113110710
4-(5-chloro-2-methoxyphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide
CID 113110731
5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methylbutyl)pyridine-3-carboxamide
CID 109238474
4-[4-(2-chlorophenyl)piperazin-1-yl]-N-(3-methylbutyl)phthalazine-1-carboxamide
CID 42690854
N-(2-methylpropyl)-4-quinolin-8-ylpiperazine-1-carboxamide
CID 113104125
2-[3-(4-methoxyphenyl)prop-2-ynyl]-4-(4-methylpiperazin-1-yl)benzimidazole-1-carboxamide
CID 175826586

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-methylbutyl)-4-(4-methylpiperazin-1-yl)benzimidazole-1-carboxamide?
The IUPAC name of 2-chloro-N-(3-methylbutyl)-4-(4-methylpiperazin-1-yl)benzimidazole-1-carboxamide (CID 175826593) is 2-chloro-N-(3-methylbutyl)-4-(4-methylpiperazin-1-yl)benzimidazole-1-carboxamide.
What is the SMILES notation for 2-chloro-N-(3-methylbutyl)-4-(4-methylpiperazin-1-yl)benzimidazole-1-carboxamide?
The canonical SMILES for 2-chloro-N-(3-methylbutyl)-4-(4-methylpiperazin-1-yl)benzimidazole-1-carboxamide is CC(C)CCNC(=O)n1c(Cl)nc2c(N3CCN(C)CC3)cccc21.
What is the InChIKey of 2-chloro-N-(3-methylbutyl)-4-(4-methylpiperazin-1-yl)benzimidazole-1-carboxamide?
The InChIKey is CEPPKDLYXMUKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN5O/c1-13(2)7-8-20-18(25)24-15-6-4-5-14(16(15)21-17(24)19)23-11-9-22(3)10-12-23/h4-6,13H,7-12H2,1-3H3,(H,20,25).
What are the key properties of 2-chloro-N-(3-methylbutyl)-4-(4-methylpiperazin-1-yl)benzimidazole-1-carboxamide?
2-chloro-N-(3-methylbutyl)-4-(4-methylpiperazin-1-yl)benzimidazole-1-carboxamide has a molecular weight of 363.89 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-methylbutyl)-4-(4-methylpiperazin-1-yl)benzimidazole-1-carboxamide is sourced from PubChem (CID 175826593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).