[1-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]pyrazol-4-yl]urea

C16H19N7O2 — CID 140589306

IUPAC[1-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]pyrazol-4-yl]urea
SMILESNC(=O)Nc1cnn(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c1
InChIInChI=1S/C16H19N7O2/c17-15(24)19-12-8-18-23(10-12)16-20-13-2-1-11(7-14(13)21-16)9-22-3-5-25-6-4-22/h1-2,7-8,10H,3-6,9H2,(H,20,21)(H3,17,19,24)
InChIKeyXEVNAEBKMXXMRJ-UHFFFAOYSA-N
MW341.38 g/mol
LogP1.07
Rot. Bonds4

About [1-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]pyrazol-4-yl]urea

[1-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]pyrazol-4-yl]urea (PubChem CID 140589306) has the molecular formula C16H19N7O2 and a molecular weight of 341.38 g/mol. Its IUPAC name is [1-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]pyrazol-4-yl]urea.

Molecular Properties

Compound Name[1-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]pyrazol-4-yl]urea
PubChem CID140589306
Molecular FormulaC16H19N7O2
Molecular Weight341.38 g/mol
Exact Mass341.16
IUPAC Name[1-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]pyrazol-4-yl]urea
SMILESNC(=O)Nc1cnn(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c1
InChIInChI=1S/C16H19N7O2/c17-15(24)19-12-8-18-23(10-12)16-20-13-2-1-11(7-14(13)21-16)9-22-3-5-25-6-4-22/h1-2,7-8,10H,3-6,9H2,(H,20,21)(H3,17,19,24)
InChIKeyXEVNAEBKMXXMRJ-UHFFFAOYSA-N
XLogP1.07
TPSA114.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1,3-thiazole-2-carboxamide
CID 173150473
1-(2,6-difluorophenyl)-3-[3-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1,3-thiazolidin-5-ylidene]urea
CID 91032710
1-[1-amino-3-imino-1-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]prop-1-en-2-yl]-3-(4-chlorophenyl)urea
CID 173472347
4-(carbamoylamino)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide
CID 136523469
N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1,3-thiazol-5-yl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 11568839
N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1H-pyrrolo[1,2-a]imidazole-2-carboxamide
CID 136660705
1-benzyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]piperidine-4-carboxamide
CID 136980396
N-[2-[4-(aminomethyl)phenyl]-3H-benzimidazol-5-yl]-3-morpholin-4-ylpropanamide
CID 174693151
2-amino-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 60672694
3-(4-fluorophenyl)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1,2-oxazole-4-carboxamide
CID 136508884
[7-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1,5-naphthyridin-2-yl]urea
CID 90288240
2-[[[2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-yl]amino]methylidene]propanedinitrile
CID 168543114

Frequently Asked Questions

What is the IUPAC name of [1-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]pyrazol-4-yl]urea?
The IUPAC name of [1-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]pyrazol-4-yl]urea (CID 140589306) is [1-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]pyrazol-4-yl]urea.
What is the SMILES notation for [1-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]pyrazol-4-yl]urea?
The canonical SMILES for [1-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]pyrazol-4-yl]urea is NC(=O)Nc1cnn(-c2nc3ccc(CN4CCOCC4)cc3[nH]2)c1.
What is the InChIKey of [1-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]pyrazol-4-yl]urea?
The InChIKey is XEVNAEBKMXXMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O2/c17-15(24)19-12-8-18-23(10-12)16-20-13-2-1-11(7-14(13)21-16)9-22-3-5-25-6-4-22/h1-2,7-8,10H,3-6,9H2,(H,20,21)(H3,17,19,24).
What are the key properties of [1-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]pyrazol-4-yl]urea?
[1-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]pyrazol-4-yl]urea has a molecular weight of 341.38 g/mol, XLogP of 1.07, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]pyrazol-4-yl]urea is sourced from PubChem (CID 140589306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).