1-[4-(benzimidazol-1-yl)phenyl]-3-(2-morpholin-4-ylethyl)urea

C20H23N5O2 — CID 118772871

IUPAC1-[4-(benzimidazol-1-yl)phenyl]-3-(2-morpholin-4-ylethyl)urea
SMILESO=C(NCCN1CCOCC1)Nc1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C20H23N5O2/c26-20(21-9-10-24-11-13-27-14-12-24)23-16-5-7-17(8-6-16)25-15-22-18-3-1-2-4-19(18)25/h1-8,15H,9-14H2,(H2,21,23,26)
InChIKeyNGVZJAGCYCPQBI-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.48
Rot. Bonds5

About 1-[4-(benzimidazol-1-yl)phenyl]-3-(2-morpholin-4-ylethyl)urea

1-[4-(benzimidazol-1-yl)phenyl]-3-(2-morpholin-4-ylethyl)urea (PubChem CID 118772871) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 1-[4-(benzimidazol-1-yl)phenyl]-3-(2-morpholin-4-ylethyl)urea.

Molecular Properties

Compound Name1-[4-(benzimidazol-1-yl)phenyl]-3-(2-morpholin-4-ylethyl)urea
PubChem CID118772871
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name1-[4-(benzimidazol-1-yl)phenyl]-3-(2-morpholin-4-ylethyl)urea
SMILESO=C(NCCN1CCOCC1)Nc1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C20H23N5O2/c26-20(21-9-10-24-11-13-27-14-12-24)23-16-5-7-17(8-6-16)25-15-22-18-3-1-2-4-19(18)25/h1-8,15H,9-14H2,(H2,21,23,26)
InChIKeyNGVZJAGCYCPQBI-UHFFFAOYSA-N
XLogP2.48
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(benzimidazol-1-yl)-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]benzamide
CID 55945184
4-(benzimidazol-1-yl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 24549547
(2S)-2-amino-N-[4-(benzimidazol-1-yl)phenyl]-4-methylpentanamide
CID 119834374
4-(benzimidazol-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 78804591
4-[[4-(benzimidazol-1-yl)benzoyl]amino]-N-propylbenzamide
CID 55948136
2-amino-N-[2-[4-(benzimidazol-1-yl)anilino]-2-oxoethyl]acetamide
CID 166193330
1-(2-morpholin-4-ylethyl)-3-[2-[[4-(2-oxopropyl)phenyl]carbamoylamino]ethyl]urea
CID 158422773
N-[4-(benzimidazol-1-yl)phenyl]-2-(4-hydroxyphenyl)acetamide
CID 78840226
1-(3-chloro-4-methylphenyl)-3-(2-morpholin-4-ylethyl)urea
CID 3579443
[4-(benzimidazol-1-yl)phenyl]-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 22109870
1-(4-bromophenyl)-3-(4-morpholin-4-ylbutyl)urea
CID 46831361
1-[(6-methyl-3-pyridinyl)methyl]-3-[4-[3-(2-morpholin-4-ylethyl)indol-1-yl]phenyl]urea
CID 71165107

Frequently Asked Questions

What is the IUPAC name of 1-[4-(benzimidazol-1-yl)phenyl]-3-(2-morpholin-4-ylethyl)urea?
The IUPAC name of 1-[4-(benzimidazol-1-yl)phenyl]-3-(2-morpholin-4-ylethyl)urea (CID 118772871) is 1-[4-(benzimidazol-1-yl)phenyl]-3-(2-morpholin-4-ylethyl)urea.
What is the SMILES notation for 1-[4-(benzimidazol-1-yl)phenyl]-3-(2-morpholin-4-ylethyl)urea?
The canonical SMILES for 1-[4-(benzimidazol-1-yl)phenyl]-3-(2-morpholin-4-ylethyl)urea is O=C(NCCN1CCOCC1)Nc1ccc(-n2cnc3ccccc32)cc1.
What is the InChIKey of 1-[4-(benzimidazol-1-yl)phenyl]-3-(2-morpholin-4-ylethyl)urea?
The InChIKey is NGVZJAGCYCPQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c26-20(21-9-10-24-11-13-27-14-12-24)23-16-5-7-17(8-6-16)25-15-22-18-3-1-2-4-19(18)25/h1-8,15H,9-14H2,(H2,21,23,26).
What are the key properties of 1-[4-(benzimidazol-1-yl)phenyl]-3-(2-morpholin-4-ylethyl)urea?
1-[4-(benzimidazol-1-yl)phenyl]-3-(2-morpholin-4-ylethyl)urea has a molecular weight of 365.44 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(benzimidazol-1-yl)phenyl]-3-(2-morpholin-4-ylethyl)urea is sourced from PubChem (CID 118772871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).