2-methyl-1-phenyl-N-pyrrolidin-3-ylbenzimidazole-5-carboxamide;dihydrochloride

C19H22Cl2N4O — CID 119452060

IUPAC2-methyl-1-phenyl-N-pyrrolidin-3-ylbenzimidazole-5-carboxamide;dihydrochloride
SMILESCc1nc2cc(C(=O)NC3CCNC3)ccc2n1-c1ccccc1.Cl.Cl
InChIInChI=1S/C19H20N4O.2ClH/c1-13-21-17-11-14(19(24)22-15-9-10-20-12-15)7-8-18(17)23(13)16-5-3-2-4-6-16;;/h2-8,11,15,20H,9-10,12H2,1H3,(H,22,24);2*1H
InChIKeyUGEKWAZVKOPUSI-UHFFFAOYSA-N
MW393.32 g/mol
LogP3.27
Rot. Bonds3

About 2-methyl-1-phenyl-N-pyrrolidin-3-ylbenzimidazole-5-carboxamide;dihydrochloride

2-methyl-1-phenyl-N-pyrrolidin-3-ylbenzimidazole-5-carboxamide;dihydrochloride (PubChem CID 119452060) has the molecular formula C19H22Cl2N4O and a molecular weight of 393.32 g/mol. Its IUPAC name is 2-methyl-1-phenyl-N-pyrrolidin-3-ylbenzimidazole-5-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-methyl-1-phenyl-N-pyrrolidin-3-ylbenzimidazole-5-carboxamide;dihydrochloride
PubChem CID119452060
Molecular FormulaC19H22Cl2N4O
Molecular Weight393.32 g/mol
Exact Mass392.12
IUPAC Name2-methyl-1-phenyl-N-pyrrolidin-3-ylbenzimidazole-5-carboxamide;dihydrochloride
SMILESCc1nc2cc(C(=O)NC3CCNC3)ccc2n1-c1ccccc1.Cl.Cl
InChIInChI=1S/C19H20N4O.2ClH/c1-13-21-17-11-14(19(24)22-15-9-10-20-12-15)7-8-18(17)23(13)16-5-3-2-4-6-16;;/h2-8,11,15,20H,9-10,12H2,1H3,(H,22,24);2*1H
InChIKeyUGEKWAZVKOPUSI-UHFFFAOYSA-N
XLogP3.27
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.32
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[(2R,4R)-2-methylpiperidin-4-yl]-1-phenylbenzimidazole-5-carboxamide
CID 167929322
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CID 95761729
N-cyclopropyl-2-[2-(2-methyl-1-phenylbenzimidazole-5-carbonyl)hydrazinyl]-2-oxoacetamide
CID 60600851
2-methyl-1-phenyl-N-propyl-N-pyrrolidin-3-ylbenzimidazole-5-carboxamide;dihydrochloride
CID 119531604
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide
CID 120948721
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-methyl-1-phenylbenzimidazol-5-yl)methanone;dihydrochloride
CID 120656617
N-(2-amino-1-cyclopropylethyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide;dihydrochloride
CID 119615452
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CID 3494565
1-methyl-N-pyrrolidin-3-ylbenzotriazole-5-carboxamide
CID 119449625
N-[(2R)-2-(ethylamino)propyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide;dihydrochloride
CID 120652968
N-(3-acetylphenyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide
CID 40723784
N'-(2-chlorobenzoyl)-2-methyl-1-phenylbenzimidazole-5-carbohydrazide
CID 55333924

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-phenyl-N-pyrrolidin-3-ylbenzimidazole-5-carboxamide;dihydrochloride?
The IUPAC name of 2-methyl-1-phenyl-N-pyrrolidin-3-ylbenzimidazole-5-carboxamide;dihydrochloride (CID 119452060) is 2-methyl-1-phenyl-N-pyrrolidin-3-ylbenzimidazole-5-carboxamide;dihydrochloride.
What is the SMILES notation for 2-methyl-1-phenyl-N-pyrrolidin-3-ylbenzimidazole-5-carboxamide;dihydrochloride?
The canonical SMILES for 2-methyl-1-phenyl-N-pyrrolidin-3-ylbenzimidazole-5-carboxamide;dihydrochloride is Cc1nc2cc(C(=O)NC3CCNC3)ccc2n1-c1ccccc1.Cl.Cl.
What is the InChIKey of 2-methyl-1-phenyl-N-pyrrolidin-3-ylbenzimidazole-5-carboxamide;dihydrochloride?
The InChIKey is UGEKWAZVKOPUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O.2ClH/c1-13-21-17-11-14(19(24)22-15-9-10-20-12-15)7-8-18(17)23(13)16-5-3-2-4-6-16;;/h2-8,11,15,20H,9-10,12H2,1H3,(H,22,24);2*1H.
What are the key properties of 2-methyl-1-phenyl-N-pyrrolidin-3-ylbenzimidazole-5-carboxamide;dihydrochloride?
2-methyl-1-phenyl-N-pyrrolidin-3-ylbenzimidazole-5-carboxamide;dihydrochloride has a molecular weight of 393.32 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-phenyl-N-pyrrolidin-3-ylbenzimidazole-5-carboxamide;dihydrochloride is sourced from PubChem (CID 119452060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).