2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide

C26H27N5O3 — CID 58278964

IUPAC2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide
SMILESCc1cc(OCCN2CCOCC2)ccc1-c1nc2c(C(=O)Nc3ccccn3)cccc2[nH]1
InChIInChI=1S/C26H27N5O3/c1-18-17-19(34-16-13-31-11-14-33-15-12-31)8-9-20(18)25-28-22-6-4-5-21(24(22)30-25)26(32)29-23-7-2-3-10-27-23/h2-10,17H,11-16H2,1H3,(H,28,30)(H,27,29,32)
InChIKeyGTECZRJYMGNPQN-UHFFFAOYSA-N
MW457.53 g/mol
LogP3.90
Rot. Bonds7

About 2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide

2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide (PubChem CID 58278964) has the molecular formula C26H27N5O3 and a molecular weight of 457.53 g/mol. Its IUPAC name is 2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide
PubChem CID58278964
Molecular FormulaC26H27N5O3
Molecular Weight457.53 g/mol
Exact Mass457.21
IUPAC Name2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide
SMILESCc1cc(OCCN2CCOCC2)ccc1-c1nc2c(C(=O)Nc3ccccn3)cccc2[nH]1
InChIInChI=1S/C26H27N5O3/c1-18-17-19(34-16-13-31-11-14-33-15-12-31)8-9-20(18)25-28-22-6-4-5-21(24(22)30-25)26(32)29-23-7-2-3-10-27-23/h2-10,17H,11-16H2,1H3,(H,28,30)(H,27,29,32)
InChIKeyGTECZRJYMGNPQN-UHFFFAOYSA-N
XLogP3.90
TPSA92.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Amg 579
CID 59351313
Azd8542
CID 53344810
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2-[(2-{[2-methoxy-4-(1-propyl-1,2,5,6-tetrahydropyridin-3-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzamide
CID 25218597
1h-Benzimidazol-2-Yl(4-{[3-(Tetrahydro-2h-Pyran-4-Yl)pyridin-2-Yl]oxy}phenyl)methanone
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(5-benzyloxy-1H-indol-2-yl)-[4-[3-(isopropylamino)-2-pyridyl]piperazin-1-yl]methanone
CID 453389
1h-Benzimidazol-2-Yl(4-{[3-(Morpholin-4-Yl)pyrazin-2-Yl]oxy}phenyl)methanone
CID 46207938
N-[4-[[2-[3-[2-[(dimethylamino)methyl]-4-hydroxyphenyl]phenoxy]-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]-1H-benzimidazole-4-carboxamide
CID 59190424
4-(2-(4-(1H-benzo[d]imidazole-2-carbonyl)phenoxy)pyridin-3-yl)-1-methylpyrrolidin-2-one
CID 59326873
1-[3-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone
CID 59326903
1-[4-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]piperidin-1-yl]ethanone
CID 59327006
(1H-benzo[d]imidazol-2-yl)(4-(3-(tetrahydro-2H-pyran-4-yl)pyrazin-2-yloxy)phenyl)methanone
CID 59351198

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide (CID 58278964) is 2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide is Cc1cc(OCCN2CCOCC2)ccc1-c1nc2c(C(=O)Nc3ccccn3)cccc2[nH]1.
What is the InChIKey of 2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide?
The InChIKey is GTECZRJYMGNPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O3/c1-18-17-19(34-16-13-31-11-14-33-15-12-31)8-9-20(18)25-28-22-6-4-5-21(24(22)30-25)26(32)29-23-7-2-3-10-27-23/h2-10,17H,11-16H2,1H3,(H,28,30)(H,27,29,32).
What are the key properties of 2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide?
2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide has a molecular weight of 457.53 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 58278964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).