1-(1H-benzimidazol-2-yl)-3-[2-(2,6-dimethylmorpholin-4-yl)ethyl]urea

C16H23N5O2 — CID 167881883

IUPAC1-(1H-benzimidazol-2-yl)-3-[2-(2,6-dimethylmorpholin-4-yl)ethyl]urea
SMILESCC1CN(CCNC(=O)Nc2nc3ccccc3[nH]2)CC(C)O1
InChIInChI=1S/C16H23N5O2/c1-11-9-21(10-12(2)23-11)8-7-17-16(22)20-15-18-13-5-3-4-6-14(13)19-15/h3-6,11-12H,7-10H2,1-2H3,(H3,17,18,19,20,22)
InChIKeyGIAWNULPAQAXPV-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.79
Rot. Bonds4

About 1-(1H-benzimidazol-2-yl)-3-[2-(2,6-dimethylmorpholin-4-yl)ethyl]urea

1-(1H-benzimidazol-2-yl)-3-[2-(2,6-dimethylmorpholin-4-yl)ethyl]urea (PubChem CID 167881883) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-yl)-3-[2-(2,6-dimethylmorpholin-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-yl)-3-[2-(2,6-dimethylmorpholin-4-yl)ethyl]urea
PubChem CID167881883
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name1-(1H-benzimidazol-2-yl)-3-[2-(2,6-dimethylmorpholin-4-yl)ethyl]urea
SMILESCC1CN(CCNC(=O)Nc2nc3ccccc3[nH]2)CC(C)O1
InChIInChI=1S/C16H23N5O2/c1-11-9-21(10-12(2)23-11)8-7-17-16(22)20-15-18-13-5-3-4-6-14(13)19-15/h3-6,11-12H,7-10H2,1-2H3,(H3,17,18,19,20,22)
InChIKeyGIAWNULPAQAXPV-UHFFFAOYSA-N
XLogP1.79
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(3-methyl-2-pyridinyl)urea
CID 94054024
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-phenylurea
CID 51333998
N-(1H-benzimidazol-2-yl)-4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 42905920
1-(3-chlorophenyl)-3-[2-(2,6-dimethylmorpholin-4-yl)ethyl]urea
CID 42886916
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-pyridin-2-ylurea
CID 51084139
1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(3-ethylphenyl)urea
CID 51944777
(E)-3-(1,3-benzoxazol-2-yl)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]prop-2-enamide
CID 95738709
4-(1H-benzimidazol-2-yl)-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]butanamide
CID 46433394
1-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea
CID 78887670
1-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3-[2-(pyrimidin-2-ylamino)ethyl]urea
CID 154774201
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 30209147
1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(6-methoxy-3-pyridinyl)urea
CID 94162627

Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-yl)-3-[2-(2,6-dimethylmorpholin-4-yl)ethyl]urea?
The IUPAC name of 1-(1H-benzimidazol-2-yl)-3-[2-(2,6-dimethylmorpholin-4-yl)ethyl]urea (CID 167881883) is 1-(1H-benzimidazol-2-yl)-3-[2-(2,6-dimethylmorpholin-4-yl)ethyl]urea.
What is the SMILES notation for 1-(1H-benzimidazol-2-yl)-3-[2-(2,6-dimethylmorpholin-4-yl)ethyl]urea?
The canonical SMILES for 1-(1H-benzimidazol-2-yl)-3-[2-(2,6-dimethylmorpholin-4-yl)ethyl]urea is CC1CN(CCNC(=O)Nc2nc3ccccc3[nH]2)CC(C)O1.
What is the InChIKey of 1-(1H-benzimidazol-2-yl)-3-[2-(2,6-dimethylmorpholin-4-yl)ethyl]urea?
The InChIKey is GIAWNULPAQAXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-11-9-21(10-12(2)23-11)8-7-17-16(22)20-15-18-13-5-3-4-6-14(13)19-15/h3-6,11-12H,7-10H2,1-2H3,(H3,17,18,19,20,22).
What are the key properties of 1-(1H-benzimidazol-2-yl)-3-[2-(2,6-dimethylmorpholin-4-yl)ethyl]urea?
1-(1H-benzimidazol-2-yl)-3-[2-(2,6-dimethylmorpholin-4-yl)ethyl]urea has a molecular weight of 317.39 g/mol, XLogP of 1.79, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-benzimidazol-2-yl)-3-[2-(2,6-dimethylmorpholin-4-yl)ethyl]urea is sourced from PubChem (CID 167881883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).