N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-2-(1H-pyrazol-4-yl)-3H-benzimidazole-5-carboxamide

C24H27N7O — CID 165427987

IUPACN-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-2-(1H-pyrazol-4-yl)-3H-benzimidazole-5-carboxamide
SMILESCN1CCN(CCc2ccc(NC(=O)c3ccc4nc(-c5cn[nH]c5)[nH]c4c3)cc2)CC1
InChIInChI=1S/C24H27N7O/c1-30-10-12-31(13-11-30)9-8-17-2-5-20(6-3-17)27-24(32)18-4-7-21-22(14-18)29-23(28-21)19-15-25-26-16-19/h2-7,14-16H,8-13H2,1H3,(H,25,26)(H,27,32)(H,28,29)
InChIKeyLHLWBJMDPZNHPV-UHFFFAOYSA-N
MW429.53 g/mol
LogP3.00
Rot. Bonds6

About N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-2-(1H-pyrazol-4-yl)-3H-benzimidazole-5-carboxamide

N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-2-(1H-pyrazol-4-yl)-3H-benzimidazole-5-carboxamide (PubChem CID 165427987) has the molecular formula C24H27N7O and a molecular weight of 429.53 g/mol. Its IUPAC name is N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-2-(1H-pyrazol-4-yl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-2-(1H-pyrazol-4-yl)-3H-benzimidazole-5-carboxamide
PubChem CID165427987
Molecular FormulaC24H27N7O
Molecular Weight429.53 g/mol
Exact Mass429.23
IUPAC NameN-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-2-(1H-pyrazol-4-yl)-3H-benzimidazole-5-carboxamide
SMILESCN1CCN(CCc2ccc(NC(=O)c3ccc4nc(-c5cn[nH]c5)[nH]c4c3)cc2)CC1
InChIInChI=1S/C24H27N7O/c1-30-10-12-31(13-11-30)9-8-17-2-5-20(6-3-17)27-24(32)18-4-7-21-22(14-18)29-23(28-21)19-15-25-26-16-19/h2-7,14-16H,8-13H2,1H3,(H,25,26)(H,27,32)(H,28,29)
InChIKeyLHLWBJMDPZNHPV-UHFFFAOYSA-N
XLogP3.00
TPSA92.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-2-(1-methylpyrrol-2-yl)-3H-benzimidazole-5-carboxamide
CID 165422908
N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-2-[4-(2-pyrimidin-5-ylethynyl)phenyl]-3H-benzimidazole-5-carboxamide
CID 59785461
2-[4-(2-methylphenyl)phenyl]-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-3H-benzimidazole-5-carboxamide
CID 59784240
N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-2-(1-methylpyrazol-3-yl)-3H-benzimidazole-5-carboxamide
CID 165417322
2-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-3H-benzimidazole-5-carboxamide
CID 59784316
2-(1-methyl-3-phenylpyrazol-4-yl)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3H-benzimidazole-5-carboxamide
CID 59785556
N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[2-(4-methylpiperazin-1-yl)quinolin-3-yl]-3H-benzimidazole-5-carboxamide
CID 59784593
N,2-bis(4-morpholin-4-ylphenyl)-3H-benzimidazole-5-carboxamide
CID 67687499
4-(benzimidazol-1-yl)-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]benzamide
CID 86822181
N-[3-(carbamoylamino)phenyl]-4-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 143229247
N-[4-(dimethylamino)phenyl]-2-[4-[[4-(dimethylamino)phenyl]carbamoyl]phenyl]-3H-benzimidazole-5-carboxamide
CID 67686135
N-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]-2-[4-(dimethylamino)phenyl]-3H-benzimidazole-5-carboxamide
CID 67112793

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-2-(1H-pyrazol-4-yl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-2-(1H-pyrazol-4-yl)-3H-benzimidazole-5-carboxamide (CID 165427987) is N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-2-(1H-pyrazol-4-yl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-2-(1H-pyrazol-4-yl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-2-(1H-pyrazol-4-yl)-3H-benzimidazole-5-carboxamide is CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(-c5cn[nH]c5)[nH]c4c3)cc2)CC1.
What is the InChIKey of N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-2-(1H-pyrazol-4-yl)-3H-benzimidazole-5-carboxamide?
The InChIKey is LHLWBJMDPZNHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O/c1-30-10-12-31(13-11-30)9-8-17-2-5-20(6-3-17)27-24(32)18-4-7-21-22(14-18)29-23(28-21)19-15-25-26-16-19/h2-7,14-16H,8-13H2,1H3,(H,25,26)(H,27,32)(H,28,29).
What are the key properties of N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-2-(1H-pyrazol-4-yl)-3H-benzimidazole-5-carboxamide?
N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-2-(1H-pyrazol-4-yl)-3H-benzimidazole-5-carboxamide has a molecular weight of 429.53 g/mol, XLogP of 3.00, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-2-(1H-pyrazol-4-yl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 165427987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).