1-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide

C19H24N6O2 — CID 72927304

IUPAC1-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide
SMILESCc1cnn(CCNC(=O)c2ccc3c(c2)nc(N2CCOCC2)n3C)c1
InChIInChI=1S/C19H24N6O2/c1-14-12-21-25(13-14)6-5-20-18(26)15-3-4-17-16(11-15)22-19(23(17)2)24-7-9-27-10-8-24/h3-4,11-13H,5-10H2,1-2H3,(H,20,26)
InChIKeyFGEQSJCWPFIVRW-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.34
Rot. Bonds5

About 1-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide

1-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide (PubChem CID 72927304) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 1-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide
PubChem CID72927304
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name1-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide
SMILESCc1cnn(CCNC(=O)c2ccc3c(c2)nc(N2CCOCC2)n3C)c1
InChIInChI=1S/C19H24N6O2/c1-14-12-21-25(13-14)6-5-20-18(26)15-3-4-17-16(11-15)22-19(23(17)2)24-7-9-27-10-8-24/h3-4,11-13H,5-10H2,1-2H3,(H,20,26)
InChIKeyFGEQSJCWPFIVRW-UHFFFAOYSA-N
XLogP1.34
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]benzimidazole-5-carboxamide
CID 72892162
1-methyl-N-[2-(6-methyl-2-pyridinyl)ethyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide
CID 72852401
1-methyl-N-[(5-methylpyrazin-2-yl)methyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide
CID 72868991
N-[(4-hydroxyphenyl)methyl]-1-methyl-2-morpholin-4-ylbenzimidazole-5-carboxamide
CID 72912171
1-methyl-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide
CID 72913541
3-[[(1-methyl-2-morpholin-4-ylbenzimidazole-5-carbonyl)amino]methyl]benzoic acid
CID 72911503
1-methyl-2-morpholin-4-yl-N-[(3R)-thiolan-3-yl]benzimidazole-5-carboxamide
CID 97196556
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
N-[2-(4-methylpyrazol-1-yl)ethyl]morpholine-4-carboxamide
CID 113238079
(1-methyl-2-morpholin-4-ylbenzimidazol-5-yl)-thiomorpholin-4-ylmethanone
CID 72940609
N-[[(2S)-1,4-dioxan-2-yl]methyl]-N,1-dimethyl-2-morpholin-4-ylbenzimidazole-5-carboxamide
CID 97205809

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide (CID 72927304) is 1-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide is Cc1cnn(CCNC(=O)c2ccc3c(c2)nc(N2CCOCC2)n3C)c1.
What is the InChIKey of 1-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide?
The InChIKey is FGEQSJCWPFIVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-14-12-21-25(13-14)6-5-20-18(26)15-3-4-17-16(11-15)22-19(23(17)2)24-7-9-27-10-8-24/h3-4,11-13H,5-10H2,1-2H3,(H,20,26).
What are the key properties of 1-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide?
1-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-2-morpholin-4-ylbenzimidazole-5-carboxamide is sourced from PubChem (CID 72927304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).