1-[1-(1H-benzimidazol-2-yl)ethyl]-3-(2-hydroxy-3-methylpentyl)urea

C16H24N4O2 — CID 111337847

IUPAC1-[1-(1H-benzimidazol-2-yl)ethyl]-3-(2-hydroxy-3-methylpentyl)urea
SMILESCCC(C)C(O)CNC(=O)NC(C)c1nc2ccccc2[nH]1
InChIInChI=1S/C16H24N4O2/c1-4-10(2)14(21)9-17-16(22)18-11(3)15-19-12-7-5-6-8-13(12)20-15/h5-8,10-11,14,21H,4,9H2,1-3H3,(H,19,20)(H2,17,18,22)
InChIKeyYCPRMCKDPIKKOP-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.33
Rot. Bonds6

About 1-[1-(1H-benzimidazol-2-yl)ethyl]-3-(2-hydroxy-3-methylpentyl)urea

1-[1-(1H-benzimidazol-2-yl)ethyl]-3-(2-hydroxy-3-methylpentyl)urea (PubChem CID 111337847) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-[1-(1H-benzimidazol-2-yl)ethyl]-3-(2-hydroxy-3-methylpentyl)urea.

Molecular Properties

Compound Name1-[1-(1H-benzimidazol-2-yl)ethyl]-3-(2-hydroxy-3-methylpentyl)urea
PubChem CID111337847
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name1-[1-(1H-benzimidazol-2-yl)ethyl]-3-(2-hydroxy-3-methylpentyl)urea
SMILESCCC(C)C(O)CNC(=O)NC(C)c1nc2ccccc2[nH]1
InChIInChI=1S/C16H24N4O2/c1-4-10(2)14(21)9-17-16(22)18-11(3)15-19-12-7-5-6-8-13(12)20-15/h5-8,10-11,14,21H,4,9H2,1-3H3,(H,19,20)(H2,17,18,22)
InChIKeyYCPRMCKDPIKKOP-UHFFFAOYSA-N
XLogP2.33
TPSA90.04 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 751231
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-propan-2-ylurea
CID 23548549
N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide
CID 3149717
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide
CID 7060732
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methoxyacetamide
CID 3237629
propan-2-yl N-[1-(1H-benzimidazol-2-yl)ethyl]carbamate
CID 62668799
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-propylpentanamide
CID 115532400
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-naphthalen-1-ylurea
CID 18144661
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-(1-hydroxy-4-methylpentan-3-yl)urea
CID 111504118
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide
CID 751239
1-[1-(1-benzofuran-2-yl)ethyl]-3-(2-hydroxy-3-methylpentyl)urea
CID 111337854
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 25345580

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1H-benzimidazol-2-yl)ethyl]-3-(2-hydroxy-3-methylpentyl)urea?
The IUPAC name of 1-[1-(1H-benzimidazol-2-yl)ethyl]-3-(2-hydroxy-3-methylpentyl)urea (CID 111337847) is 1-[1-(1H-benzimidazol-2-yl)ethyl]-3-(2-hydroxy-3-methylpentyl)urea.
What is the SMILES notation for 1-[1-(1H-benzimidazol-2-yl)ethyl]-3-(2-hydroxy-3-methylpentyl)urea?
The canonical SMILES for 1-[1-(1H-benzimidazol-2-yl)ethyl]-3-(2-hydroxy-3-methylpentyl)urea is CCC(C)C(O)CNC(=O)NC(C)c1nc2ccccc2[nH]1.
What is the InChIKey of 1-[1-(1H-benzimidazol-2-yl)ethyl]-3-(2-hydroxy-3-methylpentyl)urea?
The InChIKey is YCPRMCKDPIKKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-4-10(2)14(21)9-17-16(22)18-11(3)15-19-12-7-5-6-8-13(12)20-15/h5-8,10-11,14,21H,4,9H2,1-3H3,(H,19,20)(H2,17,18,22).
What are the key properties of 1-[1-(1H-benzimidazol-2-yl)ethyl]-3-(2-hydroxy-3-methylpentyl)urea?
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-(2-hydroxy-3-methylpentyl)urea has a molecular weight of 304.39 g/mol, XLogP of 2.33, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1H-benzimidazol-2-yl)ethyl]-3-(2-hydroxy-3-methylpentyl)urea is sourced from PubChem (CID 111337847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).