1-methyl-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide

C19H21N5O2 — CID 72913541

IUPAC1-methyl-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide
SMILESCn1c(N2CCOCC2)nc2cc(C(=O)NCc3cccnc3)ccc21
InChIInChI=1S/C19H21N5O2/c1-23-17-5-4-15(18(25)21-13-14-3-2-6-20-12-14)11-16(17)22-19(23)24-7-9-26-10-8-24/h2-6,11-12H,7-10,13H2,1H3,(H,21,25)
InChIKeyZUZGIDQVWNRXOL-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.73
Rot. Bonds4

About 1-methyl-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide

1-methyl-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide (PubChem CID 72913541) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 1-methyl-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide
PubChem CID72913541
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name1-methyl-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide
SMILESCn1c(N2CCOCC2)nc2cc(C(=O)NCc3cccnc3)ccc21
InChIInChI=1S/C19H21N5O2/c1-23-17-5-4-15(18(25)21-13-14-3-2-6-20-12-14)11-16(17)22-19(23)24-7-9-26-10-8-24/h2-6,11-12H,7-10,13H2,1H3,(H,21,25)
InChIKeyZUZGIDQVWNRXOL-UHFFFAOYSA-N
XLogP1.73
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[(1-methyl-2-morpholin-4-ylbenzimidazole-5-carbonyl)amino]methyl]benzoic acid
CID 72911503
N-[(4-hydroxyphenyl)methyl]-1-methyl-2-morpholin-4-ylbenzimidazole-5-carboxamide
CID 72912171
1-methyl-N-[(5-methylpyrazin-2-yl)methyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide
CID 72868991
1-methyl-N-[2-(6-methyl-2-pyridinyl)ethyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide
CID 72852401
4-morpholin-4-yl-3-nitro-N-(pyridin-3-ylmethyl)benzamide
CID 2996088
1-methyl-N-(pyridin-3-ylmethyl)indazole-6-carboxamide
CID 110475596
N-[(4-fluoropyrrolidin-2-yl)methyl]-1-methyl-2-morpholin-4-ylbenzimidazole-5-carboxamide
CID 156607408
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-1-methyl-2-morpholin-4-ylbenzimidazole-5-carboxamide
CID 72873356
1-methyl-2-morpholin-4-yl-N-[(3R)-thiolan-3-yl]benzimidazole-5-carboxamide
CID 97196556
N-[(4-morpholin-4-ylphenyl)methyl]pyridine-3-carboxamide
CID 94249234
2-(2-morpholin-4-ylethylamino)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 109168044
2-methyl-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-5-carboxamide
CID 110387930

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide?
The IUPAC name of 1-methyl-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide (CID 72913541) is 1-methyl-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 1-methyl-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide?
The canonical SMILES for 1-methyl-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide is Cn1c(N2CCOCC2)nc2cc(C(=O)NCc3cccnc3)ccc21.
What is the InChIKey of 1-methyl-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide?
The InChIKey is ZUZGIDQVWNRXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-23-17-5-4-15(18(25)21-13-14-3-2-6-20-12-14)11-16(17)22-19(23)24-7-9-26-10-8-24/h2-6,11-12H,7-10,13H2,1H3,(H,21,25).
What are the key properties of 1-methyl-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide?
1-methyl-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 72913541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).