2-[4-(1-methylpyrazol-3-yl)phenyl]-1H-benzimidazole-4-carboxamide;dihydrochloride

C18H17Cl2N5O — CID 44542664

IUPAC2-[4-(1-methylpyrazol-3-yl)phenyl]-1H-benzimidazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.Cn1ccc(-c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)n1
InChIInChI=1S/C18H15N5O.2ClH/c1-23-10-9-14(22-23)11-5-7-12(8-6-11)18-20-15-4-2-3-13(17(19)24)16(15)21-18;;/h2-10H,1H3,(H2,19,24)(H,20,21);2*1H
InChIKeyLPWKCWXKMJRCIU-UHFFFAOYSA-N
MW390.27 g/mol
LogP3.57
Rot. Bonds3

About 2-[4-(1-methylpyrazol-3-yl)phenyl]-1H-benzimidazole-4-carboxamide;dihydrochloride

2-[4-(1-methylpyrazol-3-yl)phenyl]-1H-benzimidazole-4-carboxamide;dihydrochloride (PubChem CID 44542664) has the molecular formula C18H17Cl2N5O and a molecular weight of 390.27 g/mol. Its IUPAC name is 2-[4-(1-methylpyrazol-3-yl)phenyl]-1H-benzimidazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-[4-(1-methylpyrazol-3-yl)phenyl]-1H-benzimidazole-4-carboxamide;dihydrochloride
PubChem CID44542664
Molecular FormulaC18H17Cl2N5O
Molecular Weight390.27 g/mol
Exact Mass389.08
IUPAC Name2-[4-(1-methylpyrazol-3-yl)phenyl]-1H-benzimidazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.Cn1ccc(-c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)n1
InChIInChI=1S/C18H15N5O.2ClH/c1-23-10-9-14(22-23)11-5-7-12(8-6-11)18-20-15-4-2-3-13(17(19)24)16(15)21-18;;/h2-10H,1H3,(H2,19,24)(H,20,21);2*1H
InChIKeyLPWKCWXKMJRCIU-UHFFFAOYSA-N
XLogP3.57
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.27
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methylpyrazol-3-yl)-1H-benzimidazol-4-amine
CID 136785799
2-[4-[2-(2-methylpyrrolidin-1-yl)ethyl]phenyl]-1H-benzimidazole-4-carboxamide
CID 24825799
2-[4-(1,4-diazepan-1-yl)phenyl]-1H-benzimidazole-4-carboxamide
CID 68701798
2-(2-methylphenyl)-1H-benzimidazole-4-carboxamide
CID 155676753
2-pyridin-2-yl-1H-benzimidazole-4-carboxamide
CID 5274836
2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide
CID 10852098
2-[4-[(3-methylphenoxy)methyl]phenyl]-1H-benzimidazole-4-carboxamide
CID 175537952
2-[4-(4-benzhydrylpiperazin-1-yl)phenyl]-1H-benzimidazole-4-carboxamide
CID 68701768
CID 11243500
CID 11243500
2-amino-1H-benzimidazole-4-carboxamide
CID 10442222
2-[6-[3-(4-ethyl-1,4-diazepan-1-yl)propyl-methylamino]-3-pyridinyl]-1H-benzimidazole-4-carboxamide
CID 23433135
[4-(4-carbamoyl-1H-benzimidazol-2-yl)phenyl]methyl 2-(methyldisulfanyl)ethyl carbonate
CID 139314602

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-methylpyrazol-3-yl)phenyl]-1H-benzimidazole-4-carboxamide;dihydrochloride?
The IUPAC name of 2-[4-(1-methylpyrazol-3-yl)phenyl]-1H-benzimidazole-4-carboxamide;dihydrochloride (CID 44542664) is 2-[4-(1-methylpyrazol-3-yl)phenyl]-1H-benzimidazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 2-[4-(1-methylpyrazol-3-yl)phenyl]-1H-benzimidazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 2-[4-(1-methylpyrazol-3-yl)phenyl]-1H-benzimidazole-4-carboxamide;dihydrochloride is Cl.Cl.Cn1ccc(-c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)n1.
What is the InChIKey of 2-[4-(1-methylpyrazol-3-yl)phenyl]-1H-benzimidazole-4-carboxamide;dihydrochloride?
The InChIKey is LPWKCWXKMJRCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O.2ClH/c1-23-10-9-14(22-23)11-5-7-12(8-6-11)18-20-15-4-2-3-13(17(19)24)16(15)21-18;;/h2-10H,1H3,(H2,19,24)(H,20,21);2*1H.
What are the key properties of 2-[4-(1-methylpyrazol-3-yl)phenyl]-1H-benzimidazole-4-carboxamide;dihydrochloride?
2-[4-(1-methylpyrazol-3-yl)phenyl]-1H-benzimidazole-4-carboxamide;dihydrochloride has a molecular weight of 390.27 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-methylpyrazol-3-yl)phenyl]-1H-benzimidazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 44542664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).