1-(3H-benzimidazol-5-yl)-3-(cyclopentylidenemethyl)urea

C14H16N4O — CID 108913655

IUPAC1-(3H-benzimidazol-5-yl)-3-(cyclopentylidenemethyl)urea
SMILESO=C(NC=C1CCCC1)Nc1ccc2nc[nH]c2c1
InChIInChI=1S/C14H16N4O/c19-14(15-8-10-3-1-2-4-10)18-11-5-6-12-13(7-11)17-9-16-12/h5-9H,1-4H2,(H,16,17)(H2,15,18,19)
InChIKeyAKKUQHGCKFJWPL-UHFFFAOYSA-N
MW256.31 g/mol
LogP3.14
Rot. Bonds2

About 1-(3H-benzimidazol-5-yl)-3-(cyclopentylidenemethyl)urea

1-(3H-benzimidazol-5-yl)-3-(cyclopentylidenemethyl)urea (PubChem CID 108913655) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-(3H-benzimidazol-5-yl)-3-(cyclopentylidenemethyl)urea.

Molecular Properties

Compound Name1-(3H-benzimidazol-5-yl)-3-(cyclopentylidenemethyl)urea
PubChem CID108913655
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name1-(3H-benzimidazol-5-yl)-3-(cyclopentylidenemethyl)urea
SMILESO=C(NC=C1CCCC1)Nc1ccc2nc[nH]c2c1
InChIInChI=1S/C14H16N4O/c19-14(15-8-10-3-1-2-4-10)18-11-5-6-12-13(7-11)17-9-16-12/h5-9H,1-4H2,(H,16,17)(H2,15,18,19)
InChIKeyAKKUQHGCKFJWPL-UHFFFAOYSA-N
XLogP3.14
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-3-(3H-benzimidazol-5-yl)urea
CID 115192411
3H-benzimidazol-5-ylcarbamothioic S-acid
CID 115169734
1-(3H-benzimidazol-5-yl)-3-[(E)-2-cyclopropylprop-1-enyl]urea
CID 108915520
1-(3H-benzimidazol-5-yl)-3-(4-hydroxyphenyl)urea
CID 108885789
1-(3H-benzimidazol-5-yl)-3-[(E)-2-methylbut-1-enyl]urea
CID 108914401
1-(3H-benzimidazol-5-yl)-3-(4-iodophenyl)urea
CID 108886002
N-(3H-benzimidazol-5-yl)carbamoyl chloride
CID 115194411
N-(3H-benzimidazol-5-yl)prop-2-enamide
CID 4318258
N-(3H-benzimidazol-5-yl)-4-hydroxybutanamide
CID 115162816
3-(3H-benzimidazol-5-yl)-1,1-bis(2-hydroxyethyl)urea
CID 108885821
1-(3H-benzimidazol-5-yl)-3-(3-chloro-4-fluorophenyl)urea
CID 108885972
1-(3H-benzimidazol-5-yl)-3-(1H-indazol-6-yl)urea
CID 108885965

Frequently Asked Questions

What is the IUPAC name of 1-(3H-benzimidazol-5-yl)-3-(cyclopentylidenemethyl)urea?
The IUPAC name of 1-(3H-benzimidazol-5-yl)-3-(cyclopentylidenemethyl)urea (CID 108913655) is 1-(3H-benzimidazol-5-yl)-3-(cyclopentylidenemethyl)urea.
What is the SMILES notation for 1-(3H-benzimidazol-5-yl)-3-(cyclopentylidenemethyl)urea?
The canonical SMILES for 1-(3H-benzimidazol-5-yl)-3-(cyclopentylidenemethyl)urea is O=C(NC=C1CCCC1)Nc1ccc2nc[nH]c2c1.
What is the InChIKey of 1-(3H-benzimidazol-5-yl)-3-(cyclopentylidenemethyl)urea?
The InChIKey is AKKUQHGCKFJWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c19-14(15-8-10-3-1-2-4-10)18-11-5-6-12-13(7-11)17-9-16-12/h5-9H,1-4H2,(H,16,17)(H2,15,18,19).
What are the key properties of 1-(3H-benzimidazol-5-yl)-3-(cyclopentylidenemethyl)urea?
1-(3H-benzimidazol-5-yl)-3-(cyclopentylidenemethyl)urea has a molecular weight of 256.31 g/mol, XLogP of 3.14, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-benzimidazol-5-yl)-3-(cyclopentylidenemethyl)urea is sourced from PubChem (CID 108913655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).