4-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)benzimidazole-1-carboxamide

C21H25N5O — CID 156708014

IUPAC4-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)benzimidazole-1-carboxamide
SMILESCN1CCN(c2cccc3c2ncn3C(=O)NCCc2ccccc2)CC1
InChIInChI=1S/C21H25N5O/c1-24-12-14-25(15-13-24)18-8-5-9-19-20(18)23-16-26(19)21(27)22-11-10-17-6-3-2-4-7-17/h2-9,16H,10-15H2,1H3,(H,22,27)
InChIKeyJMJBMXAJSVOJTA-UHFFFAOYSA-N
MW363.47 g/mol
LogP2.59
Rot. Bonds4

About 4-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)benzimidazole-1-carboxamide

4-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)benzimidazole-1-carboxamide (PubChem CID 156708014) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 4-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)benzimidazole-1-carboxamide.

Molecular Properties

Compound Name4-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)benzimidazole-1-carboxamide
PubChem CID156708014
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name4-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)benzimidazole-1-carboxamide
SMILESCN1CCN(c2cccc3c2ncn3C(=O)NCCc2ccccc2)CC1
InChIInChI=1S/C21H25N5O/c1-24-12-14-25(15-13-24)18-8-5-9-19-20(18)23-16-26(19)21(27)22-11-10-17-6-3-2-4-7-17/h2-9,16H,10-15H2,1H3,(H,22,27)
InChIKeyJMJBMXAJSVOJTA-UHFFFAOYSA-N
XLogP2.59
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-(2-phenylethyl)benzimidazole-1-carboxamide
CID 167679804
4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(3-phenylpropyl)benzimidazole-1-carboxamide
CID 166046436
4-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-(3-phenylpropyl)benzimidazole-1-carboxamide
CID 156708073
4-(1-methylpyrrolidin-3-yl)-N-(3-phenylpropyl)benzimidazole-1-carboxamide
CID 156708196
5-methyl-N-(2-phenylethyl)imidazo[4,5-b]pyridine-1-carboxamide
CID 167680894
5-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109230257
4-(2-methyl-1,3,3a,4,5,7,8,8a-octahydropyrrolo[3,4-d]azepin-6-yl)-N-(4-methylpent-2-ynyl)benzimidazole-1-carboxamide
CID 156708090
N-[3-[4-(4-methylpiperazin-1-yl)phenyl]propyl]-N'-(2-phenylethyl)oxamide
CID 16891850
N'-[(1-methylpiperidin-4-yl)methyl]-N-(2-phenylethyl)oxamide
CID 16886539
1-[4-(4-methylpiperazin-1-yl)phenyl]-3-(2-phenylethyl)urea
CID 108888081
2-chloro-N-(3-methylbutyl)-4-(4-methylpiperazin-1-yl)benzimidazole-1-carboxamide
CID 175826593
3-(4-methylpiperazin-1-yl)-3-oxo-N-(2-phenylethyl)propanamide
CID 108944340

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)benzimidazole-1-carboxamide?
The IUPAC name of 4-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)benzimidazole-1-carboxamide (CID 156708014) is 4-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)benzimidazole-1-carboxamide.
What is the SMILES notation for 4-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)benzimidazole-1-carboxamide?
The canonical SMILES for 4-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)benzimidazole-1-carboxamide is CN1CCN(c2cccc3c2ncn3C(=O)NCCc2ccccc2)CC1.
What is the InChIKey of 4-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)benzimidazole-1-carboxamide?
The InChIKey is JMJBMXAJSVOJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-24-12-14-25(15-13-24)18-8-5-9-19-20(18)23-16-26(19)21(27)22-11-10-17-6-3-2-4-7-17/h2-9,16H,10-15H2,1H3,(H,22,27).
What are the key properties of 4-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)benzimidazole-1-carboxamide?
4-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)benzimidazole-1-carboxamide has a molecular weight of 363.47 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperazin-1-yl)-N-(2-phenylethyl)benzimidazole-1-carboxamide is sourced from PubChem (CID 156708014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).