N-[(4-hydroxyphenyl)methyl]-1-methyl-2-morpholin-4-ylbenzimidazole-5-carboxamide

C20H22N4O3 — CID 72912171

IUPACN-[(4-hydroxyphenyl)methyl]-1-methyl-2-morpholin-4-ylbenzimidazole-5-carboxamide
SMILESCn1c(N2CCOCC2)nc2cc(C(=O)NCc3ccc(O)cc3)ccc21
InChIInChI=1S/C20H22N4O3/c1-23-18-7-4-15(19(26)21-13-14-2-5-16(25)6-3-14)12-17(18)22-20(23)24-8-10-27-11-9-24/h2-7,12,25H,8-11,13H2,1H3,(H,21,26)
InChIKeyPPNYWHNLRQUXKF-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.05
Rot. Bonds4

About N-[(4-hydroxyphenyl)methyl]-1-methyl-2-morpholin-4-ylbenzimidazole-5-carboxamide

N-[(4-hydroxyphenyl)methyl]-1-methyl-2-morpholin-4-ylbenzimidazole-5-carboxamide (PubChem CID 72912171) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[(4-hydroxyphenyl)methyl]-1-methyl-2-morpholin-4-ylbenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxyphenyl)methyl]-1-methyl-2-morpholin-4-ylbenzimidazole-5-carboxamide
PubChem CID72912171
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC NameN-[(4-hydroxyphenyl)methyl]-1-methyl-2-morpholin-4-ylbenzimidazole-5-carboxamide
SMILESCn1c(N2CCOCC2)nc2cc(C(=O)NCc3ccc(O)cc3)ccc21
InChIInChI=1S/C20H22N4O3/c1-23-18-7-4-15(19(26)21-13-14-2-5-16(25)6-3-14)12-17(18)22-20(23)24-8-10-27-11-9-24/h2-7,12,25H,8-11,13H2,1H3,(H,21,26)
InChIKeyPPNYWHNLRQUXKF-UHFFFAOYSA-N
XLogP2.05
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.05
H-Bond Donors ≤ 52
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
1-methyl-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide
CID 72913541
1-methyl-N-[(5-methylpyrazin-2-yl)methyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide
CID 72868991
1-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide
CID 72927304
1-methyl-N-[2-(6-methyl-2-pyridinyl)ethyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide
CID 72852401
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
1-methyl-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide
CID 124749549
(1-methyl-2-morpholin-4-ylbenzimidazol-5-yl)-thiomorpholin-4-ylmethanone
CID 72940609
N-[(1S)-1-(cyclohexen-1-yl)ethyl]-1-methyl-2-morpholin-4-ylbenzimidazole-5-carboxamide
CID 97194553
(3S)-3-[(1-methyl-2-morpholin-4-ylbenzimidazole-5-carbonyl)amino]pyrrolidine-3-carboxylic acid
CID 97275090

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyphenyl)methyl]-1-methyl-2-morpholin-4-ylbenzimidazole-5-carboxamide?
The IUPAC name of N-[(4-hydroxyphenyl)methyl]-1-methyl-2-morpholin-4-ylbenzimidazole-5-carboxamide (CID 72912171) is N-[(4-hydroxyphenyl)methyl]-1-methyl-2-morpholin-4-ylbenzimidazole-5-carboxamide.
What is the SMILES notation for N-[(4-hydroxyphenyl)methyl]-1-methyl-2-morpholin-4-ylbenzimidazole-5-carboxamide?
The canonical SMILES for N-[(4-hydroxyphenyl)methyl]-1-methyl-2-morpholin-4-ylbenzimidazole-5-carboxamide is Cn1c(N2CCOCC2)nc2cc(C(=O)NCc3ccc(O)cc3)ccc21.
What is the InChIKey of N-[(4-hydroxyphenyl)methyl]-1-methyl-2-morpholin-4-ylbenzimidazole-5-carboxamide?
The InChIKey is PPNYWHNLRQUXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-23-18-7-4-15(19(26)21-13-14-2-5-16(25)6-3-14)12-17(18)22-20(23)24-8-10-27-11-9-24/h2-7,12,25H,8-11,13H2,1H3,(H,21,26).
What are the key properties of N-[(4-hydroxyphenyl)methyl]-1-methyl-2-morpholin-4-ylbenzimidazole-5-carboxamide?
N-[(4-hydroxyphenyl)methyl]-1-methyl-2-morpholin-4-ylbenzimidazole-5-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyphenyl)methyl]-1-methyl-2-morpholin-4-ylbenzimidazole-5-carboxamide is sourced from PubChem (CID 72912171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).