2-methyl-N-(2-morpholin-4-ylpropyl)-1-phenylbenzimidazole-5-carboxamide

C22H26N4O2 — CID 46981643

IUPAC2-methyl-N-(2-morpholin-4-ylpropyl)-1-phenylbenzimidazole-5-carboxamide
SMILESCc1nc2cc(C(=O)NCC(C)N3CCOCC3)ccc2n1-c1ccccc1
InChIInChI=1S/C22H26N4O2/c1-16(25-10-12-28-13-11-25)15-23-22(27)18-8-9-21-20(14-18)24-17(2)26(21)19-6-4-3-5-7-19/h3-9,14,16H,10-13,15H2,1-2H3,(H,23,27)
InChIKeyWWRRKUGWKCMKJT-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.78
Rot. Bonds5

About 2-methyl-N-(2-morpholin-4-ylpropyl)-1-phenylbenzimidazole-5-carboxamide

2-methyl-N-(2-morpholin-4-ylpropyl)-1-phenylbenzimidazole-5-carboxamide (PubChem CID 46981643) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-methyl-N-(2-morpholin-4-ylpropyl)-1-phenylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(2-morpholin-4-ylpropyl)-1-phenylbenzimidazole-5-carboxamide
PubChem CID46981643
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name2-methyl-N-(2-morpholin-4-ylpropyl)-1-phenylbenzimidazole-5-carboxamide
SMILESCc1nc2cc(C(=O)NCC(C)N3CCOCC3)ccc2n1-c1ccccc1
InChIInChI=1S/C22H26N4O2/c1-16(25-10-12-28-13-11-25)15-23-22(27)18-8-9-21-20(14-18)24-17(2)26(21)19-6-4-3-5-7-19/h3-9,14,16H,10-13,15H2,1-2H3,(H,23,27)
InChIKeyWWRRKUGWKCMKJT-UHFFFAOYSA-N
XLogP2.78
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylbenzimidazole-5-carboxamide
CID 51155897
2-methyl-1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]benzimidazole-5-carboxamide
CID 46653202
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide
CID 120948721
1-(4-ethoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)benzimidazole-5-carboxamide
CID 4103678
1-(2-methyl-1-phenylbenzimidazol-5-yl)ethanone
CID 3494565
2-methyl-N-[[3-(2-methylpropanoylamino)phenyl]methyl]-1-phenylbenzimidazole-5-carboxamide
CID 46541611
N-[(2R)-2-morpholin-4-ylpropyl]-4-[(S)-propan-2-ylsulfinyl]benzamide
CID 95635716
N-(2-amino-1-cyclopropylethyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide;dihydrochloride
CID 119615452
N-(2,2-diethoxyethyl)-2-methyl-1-(3-methylphenyl)benzimidazole-5-carboxamide
CID 3655846
N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide
CID 91794913
1-[4-(2-methyl-1-phenylbenzimidazole-5-carbonyl)piperazin-1-yl]ethanone
CID 34838428
azepan-1-yl-(2-methyl-1-phenylbenzimidazol-5-yl)methanone
CID 40723608

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-morpholin-4-ylpropyl)-1-phenylbenzimidazole-5-carboxamide?
The IUPAC name of 2-methyl-N-(2-morpholin-4-ylpropyl)-1-phenylbenzimidazole-5-carboxamide (CID 46981643) is 2-methyl-N-(2-morpholin-4-ylpropyl)-1-phenylbenzimidazole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-(2-morpholin-4-ylpropyl)-1-phenylbenzimidazole-5-carboxamide?
The canonical SMILES for 2-methyl-N-(2-morpholin-4-ylpropyl)-1-phenylbenzimidazole-5-carboxamide is Cc1nc2cc(C(=O)NCC(C)N3CCOCC3)ccc2n1-c1ccccc1.
What is the InChIKey of 2-methyl-N-(2-morpholin-4-ylpropyl)-1-phenylbenzimidazole-5-carboxamide?
The InChIKey is WWRRKUGWKCMKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-16(25-10-12-28-13-11-25)15-23-22(27)18-8-9-21-20(14-18)24-17(2)26(21)19-6-4-3-5-7-19/h3-9,14,16H,10-13,15H2,1-2H3,(H,23,27).
What are the key properties of 2-methyl-N-(2-morpholin-4-ylpropyl)-1-phenylbenzimidazole-5-carboxamide?
2-methyl-N-(2-morpholin-4-ylpropyl)-1-phenylbenzimidazole-5-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-morpholin-4-ylpropyl)-1-phenylbenzimidazole-5-carboxamide is sourced from PubChem (CID 46981643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).