1-(3-hydroxybutyl)-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea

C15H22N4O2 — CID 111337075

IUPAC1-(3-hydroxybutyl)-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea
SMILESCc1nc2ccccc2n1CCNC(=O)NCCC(C)O
InChIInChI=1S/C15H22N4O2/c1-11(20)7-8-16-15(21)17-9-10-19-12(2)18-13-5-3-4-6-14(13)19/h3-6,11,20H,7-10H2,1-2H3,(H2,16,17,21)
InChIKeyWYPNNDNUZUEKIE-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.41
Rot. Bonds6

About 1-(3-hydroxybutyl)-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea

1-(3-hydroxybutyl)-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea (PubChem CID 111337075) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-(3-hydroxybutyl)-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-(3-hydroxybutyl)-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea
PubChem CID111337075
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name1-(3-hydroxybutyl)-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea
SMILESCc1nc2ccccc2n1CCNC(=O)NCCC(C)O
InChIInChI=1S/C15H22N4O2/c1-11(20)7-8-16-15(21)17-9-10-19-12(2)18-13-5-3-4-6-14(13)19/h3-6,11,20H,7-10H2,1-2H3,(H2,16,17,21)
InChIKeyWYPNNDNUZUEKIE-UHFFFAOYSA-N
XLogP1.41
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-(2-methylbenzimidazol-1-yl)butan-2-ol
CID 139248448
(2S)-2-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 78968968
1-(4-hydroxy-3-methylbutan-2-yl)-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea
CID 111454104
5-amino-2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pentanamide
CID 104684754
(2S)-2-amino-4-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pentanamide
CID 61274419
ethyl 3-[2-(2-methylbenzimidazol-1-yl)ethylcarbamoylamino]propanoate
CID 46287068
3-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
CID 61276149
1-[(2-fluorophenyl)methyl]-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea
CID 38946290
2-(aminomethyl)-3-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
CID 65229175
(2R)-2-amino-3,3-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]butanamide
CID 103929612
2-methyl-1-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(4-methylpentyl)guanidine
CID 111942807
1-(4-acetylphenyl)-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea
CID 71898971

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxybutyl)-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea?
The IUPAC name of 1-(3-hydroxybutyl)-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea (CID 111337075) is 1-(3-hydroxybutyl)-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea.
What is the SMILES notation for 1-(3-hydroxybutyl)-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea?
The canonical SMILES for 1-(3-hydroxybutyl)-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea is Cc1nc2ccccc2n1CCNC(=O)NCCC(C)O.
What is the InChIKey of 1-(3-hydroxybutyl)-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea?
The InChIKey is WYPNNDNUZUEKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-11(20)7-8-16-15(21)17-9-10-19-12(2)18-13-5-3-4-6-14(13)19/h3-6,11,20H,7-10H2,1-2H3,(H2,16,17,21).
What are the key properties of 1-(3-hydroxybutyl)-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea?
1-(3-hydroxybutyl)-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea has a molecular weight of 290.37 g/mol, XLogP of 1.41, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxybutyl)-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea is sourced from PubChem (CID 111337075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).