2-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylbenzimidazole-5-carboxamide

C22H26N4O2 — CID 51155897

IUPAC2-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylbenzimidazole-5-carboxamide
SMILESCc1nc2cc(C(=O)NCCCN3CCOCC3)ccc2n1-c1ccccc1
InChIInChI=1S/C22H26N4O2/c1-17-24-20-16-18(8-9-21(20)26(17)19-6-3-2-4-7-19)22(27)23-10-5-11-25-12-14-28-15-13-25/h2-4,6-9,16H,5,10-15H2,1H3,(H,23,27)
InChIKeyXOTQRNHFIDHQKJ-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.79
Rot. Bonds6

About 2-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylbenzimidazole-5-carboxamide

2-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylbenzimidazole-5-carboxamide (PubChem CID 51155897) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylbenzimidazole-5-carboxamide
PubChem CID51155897
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name2-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylbenzimidazole-5-carboxamide
SMILESCc1nc2cc(C(=O)NCCCN3CCOCC3)ccc2n1-c1ccccc1
InChIInChI=1S/C22H26N4O2/c1-17-24-20-16-18(8-9-21(20)26(17)19-6-3-2-4-7-19)22(27)23-10-5-11-25-12-14-28-15-13-25/h2-4,6-9,16H,5,10-15H2,1H3,(H,23,27)
InChIKeyXOTQRNHFIDHQKJ-UHFFFAOYSA-N
XLogP2.79
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-ethoxyphenyl)-2-methyl-N-(2-morpholin-4-ylethyl)benzimidazole-5-carboxamide
CID 4103678
2-methyl-N-(2-morpholin-4-ylpropyl)-1-phenylbenzimidazole-5-carboxamide
CID 46981643
6-methyl-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 142825714
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
3,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 3328171
2-chloro-N-(3-morpholin-4-ylpropyl)-1,3-benzoxazole-5-carboxamide
CID 100786873
N-(3-piperidin-1-ylpropyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide
CID 22579615
3-hydroxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 43236314
3-acetamido-N-(3-morpholin-4-ylpropyl)benzamide
CID 51162231
1-(2-methyl-1-phenylbenzimidazol-5-yl)ethanone
CID 3494565
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 71708502
4-(3,5-dimethylpyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 2530378

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylbenzimidazole-5-carboxamide?
The IUPAC name of 2-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylbenzimidazole-5-carboxamide (CID 51155897) is 2-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylbenzimidazole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylbenzimidazole-5-carboxamide?
The canonical SMILES for 2-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylbenzimidazole-5-carboxamide is Cc1nc2cc(C(=O)NCCCN3CCOCC3)ccc2n1-c1ccccc1.
What is the InChIKey of 2-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylbenzimidazole-5-carboxamide?
The InChIKey is XOTQRNHFIDHQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-17-24-20-16-18(8-9-21(20)26(17)19-6-3-2-4-7-19)22(27)23-10-5-11-25-12-14-28-15-13-25/h2-4,6-9,16H,5,10-15H2,1H3,(H,23,27).
What are the key properties of 2-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylbenzimidazole-5-carboxamide?
2-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylbenzimidazole-5-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylbenzimidazole-5-carboxamide is sourced from PubChem (CID 51155897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).