N-[2-[(4-methylpiperazin-1-yl)methyl]-3H-benzimidazol-5-yl]cyclopropanecarboxamide

C17H23N5O — CID 166197291

IUPACN-[2-[(4-methylpiperazin-1-yl)methyl]-3H-benzimidazol-5-yl]cyclopropanecarboxamide
SMILESCN1CCN(Cc2nc3ccc(NC(=O)C4CC4)cc3[nH]2)CC1
InChIInChI=1S/C17H23N5O/c1-21-6-8-22(9-7-21)11-16-19-14-5-4-13(10-15(14)20-16)18-17(23)12-2-3-12/h4-5,10,12H,2-3,6-9,11H2,1H3,(H,18,23)(H,19,20)
InChIKeyROXCDPDWUDBSPD-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.66
Rot. Bonds4

About N-[2-[(4-methylpiperazin-1-yl)methyl]-3H-benzimidazol-5-yl]cyclopropanecarboxamide

N-[2-[(4-methylpiperazin-1-yl)methyl]-3H-benzimidazol-5-yl]cyclopropanecarboxamide (PubChem CID 166197291) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[2-[(4-methylpiperazin-1-yl)methyl]-3H-benzimidazol-5-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[(4-methylpiperazin-1-yl)methyl]-3H-benzimidazol-5-yl]cyclopropanecarboxamide
PubChem CID166197291
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC NameN-[2-[(4-methylpiperazin-1-yl)methyl]-3H-benzimidazol-5-yl]cyclopropanecarboxamide
SMILESCN1CCN(Cc2nc3ccc(NC(=O)C4CC4)cc3[nH]2)CC1
InChIInChI=1S/C17H23N5O/c1-21-6-8-22(9-7-21)11-16-19-14-5-4-13(10-15(14)20-16)18-17(23)12-2-3-12/h4-5,10,12H,2-3,6-9,11H2,1H3,(H,18,23)(H,19,20)
InChIKeyROXCDPDWUDBSPD-UHFFFAOYSA-N
XLogP1.66
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-3H-benzimidazol-5-yl)cyclopropanecarboxamide
CID 53276569
2-[(4-methylpiperazin-1-yl)methyl]-6-nitro-1H-benzimidazole
CID 4915687
N-(2-methoxy-3H-benzimidazol-5-yl)cyclopropanecarboxamide
CID 166218130
(3R)-1-benzyl-N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]-5-oxopyrrolidine-3-carboxamide
CID 95344166
N-[1-methyl-2-[(4-methylpiperazin-1-yl)methyl]benzimidazol-5-yl]cyclohexanecarboxamide
CID 23611154
4-amino-N-(2-methyl-3H-benzimidazol-5-yl)cyclohexane-1-carboxamide
CID 60851207
N-(2-butyl-3H-benzimidazol-5-yl)-1-propanoylpiperidine-3-carboxamide
CID 86860041
N-(2-chloro-3H-benzimidazol-5-yl)cyclohexanecarboxamide
CID 84581323
4-hydroxy-N-[4-[6-[(4-hydroxycyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide
CID 10140436
N-[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 47838565
4-[[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-3H-benzimidazol-5-yl]carbamoyl]benzoic acid
CID 163266294
N-[2-(4-formylphenyl)-3H-benzimidazol-5-yl]-4-methylcyclohexane-1-carboxamide
CID 142169462

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methylpiperazin-1-yl)methyl]-3H-benzimidazol-5-yl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[(4-methylpiperazin-1-yl)methyl]-3H-benzimidazol-5-yl]cyclopropanecarboxamide (CID 166197291) is N-[2-[(4-methylpiperazin-1-yl)methyl]-3H-benzimidazol-5-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[(4-methylpiperazin-1-yl)methyl]-3H-benzimidazol-5-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[(4-methylpiperazin-1-yl)methyl]-3H-benzimidazol-5-yl]cyclopropanecarboxamide is CN1CCN(Cc2nc3ccc(NC(=O)C4CC4)cc3[nH]2)CC1.
What is the InChIKey of N-[2-[(4-methylpiperazin-1-yl)methyl]-3H-benzimidazol-5-yl]cyclopropanecarboxamide?
The InChIKey is ROXCDPDWUDBSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-21-6-8-22(9-7-21)11-16-19-14-5-4-13(10-15(14)20-16)18-17(23)12-2-3-12/h4-5,10,12H,2-3,6-9,11H2,1H3,(H,18,23)(H,19,20).
What are the key properties of N-[2-[(4-methylpiperazin-1-yl)methyl]-3H-benzimidazol-5-yl]cyclopropanecarboxamide?
N-[2-[(4-methylpiperazin-1-yl)methyl]-3H-benzimidazol-5-yl]cyclopropanecarboxamide has a molecular weight of 313.40 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methylpiperazin-1-yl)methyl]-3H-benzimidazol-5-yl]cyclopropanecarboxamide is sourced from PubChem (CID 166197291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).