1-(1H-benzimidazol-2-yl)-3-(1-phenylcyclopropyl)thiourea

C17H16N4S — CID 57209217

IUPAC1-(1H-benzimidazol-2-yl)-3-(1-phenylcyclopropyl)thiourea
SMILESS=C(Nc1nc2ccccc2[nH]1)NC1(c2ccccc2)CC1
InChIInChI=1S/C17H16N4S/c22-16(20-15-18-13-8-4-5-9-14(13)19-15)21-17(10-11-17)12-6-2-1-3-7-12/h1-9H,10-11H2,(H3,18,19,20,21,22)
InChIKeyRLVZLGKCVWTSQN-UHFFFAOYSA-N
MW308.41 g/mol
LogP3.54
Rot. Bonds3

About 1-(1H-benzimidazol-2-yl)-3-(1-phenylcyclopropyl)thiourea

1-(1H-benzimidazol-2-yl)-3-(1-phenylcyclopropyl)thiourea (PubChem CID 57209217) has the molecular formula C17H16N4S and a molecular weight of 308.41 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-yl)-3-(1-phenylcyclopropyl)thiourea.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-yl)-3-(1-phenylcyclopropyl)thiourea
PubChem CID57209217
Molecular FormulaC17H16N4S
Molecular Weight308.41 g/mol
Exact Mass308.11
IUPAC Name1-(1H-benzimidazol-2-yl)-3-(1-phenylcyclopropyl)thiourea
SMILESS=C(Nc1nc2ccccc2[nH]1)NC1(c2ccccc2)CC1
InChIInChI=1S/C17H16N4S/c22-16(20-15-18-13-8-4-5-9-14(13)19-15)21-17(10-11-17)12-6-2-1-3-7-12/h1-9H,10-11H2,(H3,18,19,20,21,22)
InChIKeyRLVZLGKCVWTSQN-UHFFFAOYSA-N
XLogP3.54
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-(1H-imidazol-2-yl)-3-(1-phenylcyclopropyl)thiourea
CID 57148461
N-(1H-benzimidazol-2-yl)-1-carbamothioylcyclopentane-1-carboxamide
CID 63563740
N-(1H-benzimidazol-2-yl)-1H-benzimidazole-2-carboxamide
CID 12620222
N-(1H-benzimidazol-2-yl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide
CID 43016841
N-(1H-benzimidazol-2-yl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 27649691
N-(1H-benzimidazol-2-yl)pyridine-4-carboxamide
CID 896334
[3-[(1H-benzimidazol-2-ylcarbamothioylamino)methyl]-3-hydroxy-1-azoniabicyclo[2.2.2]octan-1-yl]boranuide
CID 137328777
1-(1H-benzimidazol-2-yl)-3-[4-[(1Z)-buta-1,3-dienyl]-5-methyl-1H-imidazol-2-yl]thiourea
CID 18529381
N-(1H-benzimidazol-2-yl)-3-methylpyrrolidine-3-carboxamide
CID 63562778
1H-benzimidazol-2-ylsulfamic acid
CID 59847917
5-amino-N-(1H-benzimidazol-2-yl)pyridine-2-carboxamide
CID 81316691
1-(4-methoxyphenyl)-3-(1-phenylcyclopentyl)thiourea
CID 100766125

Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-yl)-3-(1-phenylcyclopropyl)thiourea?
The IUPAC name of 1-(1H-benzimidazol-2-yl)-3-(1-phenylcyclopropyl)thiourea (CID 57209217) is 1-(1H-benzimidazol-2-yl)-3-(1-phenylcyclopropyl)thiourea.
What is the SMILES notation for 1-(1H-benzimidazol-2-yl)-3-(1-phenylcyclopropyl)thiourea?
The canonical SMILES for 1-(1H-benzimidazol-2-yl)-3-(1-phenylcyclopropyl)thiourea is S=C(Nc1nc2ccccc2[nH]1)NC1(c2ccccc2)CC1.
What is the InChIKey of 1-(1H-benzimidazol-2-yl)-3-(1-phenylcyclopropyl)thiourea?
The InChIKey is RLVZLGKCVWTSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4S/c22-16(20-15-18-13-8-4-5-9-14(13)19-15)21-17(10-11-17)12-6-2-1-3-7-12/h1-9H,10-11H2,(H3,18,19,20,21,22).
What are the key properties of 1-(1H-benzimidazol-2-yl)-3-(1-phenylcyclopropyl)thiourea?
1-(1H-benzimidazol-2-yl)-3-(1-phenylcyclopropyl)thiourea has a molecular weight of 308.41 g/mol, XLogP of 3.54, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-benzimidazol-2-yl)-3-(1-phenylcyclopropyl)thiourea is sourced from PubChem (CID 57209217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).