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

C22H28Cl2N4O — CID 119531604

IUPAC2-methyl-1-phenyl-N-propyl-N-pyrrolidin-3-ylbenzimidazole-5-carboxamide;dihydrochloride
SMILESCCCN(C(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1)C1CCNC1.Cl.Cl
InChIInChI=1S/C22H26N4O.2ClH/c1-3-13-25(19-11-12-23-15-19)22(27)17-9-10-21-20(14-17)24-16(2)26(21)18-7-5-4-6-8-18;;/h4-10,14,19,23H,3,11-13,15H2,1-2H3;2*1H
InChIKeyXAPPPFHNSRAVCJ-UHFFFAOYSA-N
MW435.40 g/mol
LogP4.39
Rot. Bonds5

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

2-methyl-1-phenyl-N-propyl-N-pyrrolidin-3-ylbenzimidazole-5-carboxamide;dihydrochloride (PubChem CID 119531604) has the molecular formula C22H28Cl2N4O and a molecular weight of 435.40 g/mol. Its IUPAC name is 2-methyl-1-phenyl-N-propyl-N-pyrrolidin-3-ylbenzimidazole-5-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-methyl-1-phenyl-N-propyl-N-pyrrolidin-3-ylbenzimidazole-5-carboxamide;dihydrochloride
PubChem CID119531604
Molecular FormulaC22H28Cl2N4O
Molecular Weight435.40 g/mol
Exact Mass434.16
IUPAC Name2-methyl-1-phenyl-N-propyl-N-pyrrolidin-3-ylbenzimidazole-5-carboxamide;dihydrochloride
SMILESCCCN(C(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1)C1CCNC1.Cl.Cl
InChIInChI=1S/C22H26N4O.2ClH/c1-3-13-25(19-11-12-23-15-19)22(27)17-9-10-21-20(14-17)24-16(2)26(21)18-7-5-4-6-8-18;;/h4-10,14,19,23H,3,11-13,15H2,1-2H3;2*1H
InChIKeyXAPPPFHNSRAVCJ-UHFFFAOYSA-N
XLogP4.39
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.40
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-phenyl-N-pyrrolidin-3-ylbenzimidazole-5-carboxamide;dihydrochloride
CID 119452060
1-cyclopentyl-2-oxo-N-propyl-N-pyrrolidin-3-yl-3H-benzimidazole-5-carboxamide;hydrochloride
CID 119532706
4-(benzimidazol-1-yl)-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 119530528
[(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-piperidin-4-yl-1-propan-2-yl-N-propyl-2-(trifluoromethyl)benzimidazole-5-carboxamide
CID 119823146
2-methyl-N-propyl-N-pyrrolidin-3-ylpyridine-4-carboxamide
CID 106753627
N-butyl-N-[(3S)-pyrrolidin-3-yl]naphthalene-2-carboxamide
CID 141107759
1-N,1-N-dimethyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide
CID 119533174
4-bromo-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119532826
4-hydroxy-1-phenyl-N-propyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride
CID 119529856
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide
CID 120948721
N-propyl-N-pyrrolidin-3-ylquinoxaline-2-carboxamide
CID 103806535

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-phenyl-N-propyl-N-pyrrolidin-3-ylbenzimidazole-5-carboxamide;dihydrochloride?
The IUPAC name of 2-methyl-1-phenyl-N-propyl-N-pyrrolidin-3-ylbenzimidazole-5-carboxamide;dihydrochloride (CID 119531604) is 2-methyl-1-phenyl-N-propyl-N-pyrrolidin-3-ylbenzimidazole-5-carboxamide;dihydrochloride.
What is the SMILES notation for 2-methyl-1-phenyl-N-propyl-N-pyrrolidin-3-ylbenzimidazole-5-carboxamide;dihydrochloride?
The canonical SMILES for 2-methyl-1-phenyl-N-propyl-N-pyrrolidin-3-ylbenzimidazole-5-carboxamide;dihydrochloride is CCCN(C(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1)C1CCNC1.Cl.Cl.
What is the InChIKey of 2-methyl-1-phenyl-N-propyl-N-pyrrolidin-3-ylbenzimidazole-5-carboxamide;dihydrochloride?
The InChIKey is XAPPPFHNSRAVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O.2ClH/c1-3-13-25(19-11-12-23-15-19)22(27)17-9-10-21-20(14-17)24-16(2)26(21)18-7-5-4-6-8-18;;/h4-10,14,19,23H,3,11-13,15H2,1-2H3;2*1H.
What are the key properties of 2-methyl-1-phenyl-N-propyl-N-pyrrolidin-3-ylbenzimidazole-5-carboxamide;dihydrochloride?
2-methyl-1-phenyl-N-propyl-N-pyrrolidin-3-ylbenzimidazole-5-carboxamide;dihydrochloride has a molecular weight of 435.40 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-phenyl-N-propyl-N-pyrrolidin-3-ylbenzimidazole-5-carboxamide;dihydrochloride is sourced from PubChem (CID 119531604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).