1-(3H-benzimidazol-5-ylmethyl)-3-cyclopentylurea

C14H18N4O — CID 110775446

IUPAC1-(3H-benzimidazol-5-ylmethyl)-3-cyclopentylurea
SMILESO=C(NCc1ccc2nc[nH]c2c1)NC1CCCC1
InChIInChI=1S/C14H18N4O/c19-14(18-11-3-1-2-4-11)15-8-10-5-6-12-13(7-10)17-9-16-12/h5-7,9,11H,1-4,8H2,(H,16,17)(H2,15,18,19)
InChIKeyZYMZNXXTBVPGLJ-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.30
Rot. Bonds3

About 1-(3H-benzimidazol-5-ylmethyl)-3-cyclopentylurea

1-(3H-benzimidazol-5-ylmethyl)-3-cyclopentylurea (PubChem CID 110775446) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(3H-benzimidazol-5-ylmethyl)-3-cyclopentylurea.

Molecular Properties

Compound Name1-(3H-benzimidazol-5-ylmethyl)-3-cyclopentylurea
PubChem CID110775446
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name1-(3H-benzimidazol-5-ylmethyl)-3-cyclopentylurea
SMILESO=C(NCc1ccc2nc[nH]c2c1)NC1CCCC1
InChIInChI=1S/C14H18N4O/c19-14(18-11-3-1-2-4-11)15-8-10-5-6-12-13(7-10)17-9-16-12/h5-7,9,11H,1-4,8H2,(H,16,17)(H2,15,18,19)
InChIKeyZYMZNXXTBVPGLJ-UHFFFAOYSA-N
XLogP2.30
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-3-[(2-methyl-3H-benzimidazol-5-yl)methyl]urea
CID 110775448
N-(3H-benzimidazol-5-ylmethyl)piperidine-2-carboxamide
CID 110482372
N-(3H-benzimidazol-5-ylmethyl)carbamoyl chloride
CID 115194686
1-cyclopentyl-3-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]urea
CID 110775425
2-amino-N-(3H-benzimidazol-5-ylmethyl)acetamide
CID 82491860
N-(3H-benzimidazol-5-ylmethyl)-2-chloroacetamide
CID 146094481
N-(3H-benzimidazol-5-ylmethyl)-2-[(2R)-1-methylpiperidin-2-yl]acetamide
CID 126451275
N-cycloheptyl-3H-benzimidazole-5-carboxamide
CID 27646859
N-(3H-benzimidazol-5-ylmethyl)-2-(4-bromophenyl)acetamide
CID 110785506
N-(3H-benzimidazol-5-ylmethyl)-3-(4-fluorophenyl)propanamide
CID 110785494
N-(3H-benzimidazol-5-ylmethyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 110785482
3-[(cyclohexylcarbamoylamino)methyl]benzoic acid
CID 60894600

Frequently Asked Questions

What is the IUPAC name of 1-(3H-benzimidazol-5-ylmethyl)-3-cyclopentylurea?
The IUPAC name of 1-(3H-benzimidazol-5-ylmethyl)-3-cyclopentylurea (CID 110775446) is 1-(3H-benzimidazol-5-ylmethyl)-3-cyclopentylurea.
What is the SMILES notation for 1-(3H-benzimidazol-5-ylmethyl)-3-cyclopentylurea?
The canonical SMILES for 1-(3H-benzimidazol-5-ylmethyl)-3-cyclopentylurea is O=C(NCc1ccc2nc[nH]c2c1)NC1CCCC1.
What is the InChIKey of 1-(3H-benzimidazol-5-ylmethyl)-3-cyclopentylurea?
The InChIKey is ZYMZNXXTBVPGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c19-14(18-11-3-1-2-4-11)15-8-10-5-6-12-13(7-10)17-9-16-12/h5-7,9,11H,1-4,8H2,(H,16,17)(H2,15,18,19).
What are the key properties of 1-(3H-benzimidazol-5-ylmethyl)-3-cyclopentylurea?
1-(3H-benzimidazol-5-ylmethyl)-3-cyclopentylurea has a molecular weight of 258.32 g/mol, XLogP of 2.30, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-benzimidazol-5-ylmethyl)-3-cyclopentylurea is sourced from PubChem (CID 110775446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).