1-[1-(1H-benzimidazol-2-yl)ethyl]-3-naphthalen-1-ylurea

C20H18N4O — CID 18144661

IUPAC1-[1-(1H-benzimidazol-2-yl)ethyl]-3-naphthalen-1-ylurea
SMILESCC(NC(=O)Nc1cccc2ccccc12)c1nc2ccccc2[nH]1
InChIInChI=1S/C20H18N4O/c1-13(19-22-17-10-4-5-11-18(17)23-19)21-20(25)24-16-12-6-8-14-7-2-3-9-15(14)16/h2-13H,1H3,(H,22,23)(H2,21,24,25)
InChIKeyPYPCOVHVQFJPDT-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.60
Rot. Bonds3

About 1-[1-(1H-benzimidazol-2-yl)ethyl]-3-naphthalen-1-ylurea

1-[1-(1H-benzimidazol-2-yl)ethyl]-3-naphthalen-1-ylurea (PubChem CID 18144661) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is 1-[1-(1H-benzimidazol-2-yl)ethyl]-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-[1-(1H-benzimidazol-2-yl)ethyl]-3-naphthalen-1-ylurea
PubChem CID18144661
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name1-[1-(1H-benzimidazol-2-yl)ethyl]-3-naphthalen-1-ylurea
SMILESCC(NC(=O)Nc1cccc2ccccc12)c1nc2ccccc2[nH]1
InChIInChI=1S/C20H18N4O/c1-13(19-22-17-10-4-5-11-18(17)23-19)21-20(25)24-16-12-6-8-14-7-2-3-9-15(14)16/h2-13H,1H3,(H,22,23)(H2,21,24,25)
InChIKeyPYPCOVHVQFJPDT-UHFFFAOYSA-N
XLogP4.60
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(1H-benzimidazol-2-yl)ethyl]-3-propan-2-ylurea
CID 23548549
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide
CID 7060732
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 751231
N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide
CID 3149717
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-pyridin-3-ylurea
CID 18129110
2-[4-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]phenyl]-N-methylacetamide
CID 86988501
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 2906148
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-propylpentanamide
CID 115532400
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-(1-hydroxy-4-methylpentan-3-yl)urea
CID 111504118
N-[5-[1-(1H-benzimidazol-2-yl)ethylcarbamoylamino]-2-fluorophenyl]acetamide
CID 86988262
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide
CID 751239
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methoxyacetamide
CID 3237629

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1H-benzimidazol-2-yl)ethyl]-3-naphthalen-1-ylurea?
The IUPAC name of 1-[1-(1H-benzimidazol-2-yl)ethyl]-3-naphthalen-1-ylurea (CID 18144661) is 1-[1-(1H-benzimidazol-2-yl)ethyl]-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-[1-(1H-benzimidazol-2-yl)ethyl]-3-naphthalen-1-ylurea?
The canonical SMILES for 1-[1-(1H-benzimidazol-2-yl)ethyl]-3-naphthalen-1-ylurea is CC(NC(=O)Nc1cccc2ccccc12)c1nc2ccccc2[nH]1.
What is the InChIKey of 1-[1-(1H-benzimidazol-2-yl)ethyl]-3-naphthalen-1-ylurea?
The InChIKey is PYPCOVHVQFJPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-13(19-22-17-10-4-5-11-18(17)23-19)21-20(25)24-16-12-6-8-14-7-2-3-9-15(14)16/h2-13H,1H3,(H,22,23)(H2,21,24,25).
What are the key properties of 1-[1-(1H-benzimidazol-2-yl)ethyl]-3-naphthalen-1-ylurea?
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-naphthalen-1-ylurea has a molecular weight of 330.39 g/mol, XLogP of 4.60, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1H-benzimidazol-2-yl)ethyl]-3-naphthalen-1-ylurea is sourced from PubChem (CID 18144661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).