1-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]-3-(2-methoxyphenyl)thiourea

C19H21N5O2S — CID 2328625

IUPAC1-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]-3-(2-methoxyphenyl)thiourea
SMILESCCn1c(C)nc2cc(C(=O)NNC(=S)Nc3ccccc3OC)ccc21
InChIInChI=1S/C19H21N5O2S/c1-4-24-12(2)20-15-11-13(9-10-16(15)24)18(25)22-23-19(27)21-14-7-5-6-8-17(14)26-3/h5-11H,4H2,1-3H3,(H,22,25)(H2,21,23,27)
InChIKeyXTWBIXCYUAYOJO-UHFFFAOYSA-N
MW383.48 g/mol
LogP3.00
Rot. Bonds4

About 1-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]-3-(2-methoxyphenyl)thiourea

1-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]-3-(2-methoxyphenyl)thiourea (PubChem CID 2328625) has the molecular formula C19H21N5O2S and a molecular weight of 383.48 g/mol. Its IUPAC name is 1-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]-3-(2-methoxyphenyl)thiourea.

Molecular Properties

Compound Name1-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]-3-(2-methoxyphenyl)thiourea
PubChem CID2328625
Molecular FormulaC19H21N5O2S
Molecular Weight383.48 g/mol
Exact Mass383.14
IUPAC Name1-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]-3-(2-methoxyphenyl)thiourea
SMILESCCn1c(C)nc2cc(C(=O)NNC(=S)Nc3ccccc3OC)ccc21
InChIInChI=1S/C19H21N5O2S/c1-4-24-12(2)20-15-11-13(9-10-16(15)24)18(25)22-23-19(27)21-14-7-5-6-8-17(14)26-3/h5-11H,4H2,1-3H3,(H,22,25)(H2,21,23,27)
InChIKeyXTWBIXCYUAYOJO-UHFFFAOYSA-N
XLogP3.00
TPSA80.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.48
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-dichlorophenyl)-3-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]thiourea
CID 2325968
1-ethyl-N'-[3-(2-methoxyphenoxy)propanoyl]-2-methylbenzimidazole-5-carbohydrazide
CID 4783019
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]thiourea
CID 2324821
N-[4-[[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]carbamoyl]phenyl]benzamide
CID 46633272
N'-(3,4-diethoxybenzoyl)-1-ethyl-2-methylbenzimidazole-5-carbohydrazide
CID 26536321
N'-[2-(2-tert-butylphenoxy)acetyl]-1-ethyl-2-methylbenzimidazole-5-carbohydrazide
CID 24535909
1-ethyl-2-methyl-N'-[(3S)-3-phenylbutanoyl]benzimidazole-5-carbohydrazide
CID 2090701
N'-(2-bromo-5-methoxybenzoyl)-1-ethyl-2-methylbenzimidazole-5-carbohydrazide
CID 17488948
1-ethyl-2-methyl-N'-(4-nitrobenzoyl)benzimidazole-5-carbohydrazide
CID 26536246
1-ethyl-N'-(2-iodo-3-methylbenzoyl)-2-methylbenzimidazole-5-carbohydrazide
CID 39707198
1-ethyl-2-methyl-N'-(4-prop-2-enoxybenzoyl)benzimidazole-5-carbohydrazide
CID 25349265
1-ethyl-2-methyl-N'-(2-methyl-2,3-dihydro-1,4-benzodioxine-3-carbonyl)benzimidazole-5-carbohydrazide
CID 51109748

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]-3-(2-methoxyphenyl)thiourea?
The IUPAC name of 1-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]-3-(2-methoxyphenyl)thiourea (CID 2328625) is 1-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]-3-(2-methoxyphenyl)thiourea.
What is the SMILES notation for 1-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]-3-(2-methoxyphenyl)thiourea?
The canonical SMILES for 1-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]-3-(2-methoxyphenyl)thiourea is CCn1c(C)nc2cc(C(=O)NNC(=S)Nc3ccccc3OC)ccc21.
What is the InChIKey of 1-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]-3-(2-methoxyphenyl)thiourea?
The InChIKey is XTWBIXCYUAYOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S/c1-4-24-12(2)20-15-11-13(9-10-16(15)24)18(25)22-23-19(27)21-14-7-5-6-8-17(14)26-3/h5-11H,4H2,1-3H3,(H,22,25)(H2,21,23,27).
What are the key properties of 1-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]-3-(2-methoxyphenyl)thiourea?
1-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]-3-(2-methoxyphenyl)thiourea has a molecular weight of 383.48 g/mol, XLogP of 3.00, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]-3-(2-methoxyphenyl)thiourea is sourced from PubChem (CID 2328625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).