1-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-(2-propan-2-yl-3H-benzimidazol-5-yl)urea

C19H24N6O — CID 72921115

IUPAC1-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-(2-propan-2-yl-3H-benzimidazol-5-yl)urea
SMILESCc1cccnc1NCCNC(=O)Nc1ccc2nc(C(C)C)[nH]c2c1
InChIInChI=1S/C19H24N6O/c1-12(2)17-24-15-7-6-14(11-16(15)25-17)23-19(26)22-10-9-21-18-13(3)5-4-8-20-18/h4-8,11-12H,9-10H2,1-3H3,(H,20,21)(H,24,25)(H2,22,23,26)
InChIKeyPRZAFJNOPIYYTG-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.62
Rot. Bonds6

About 1-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-(2-propan-2-yl-3H-benzimidazol-5-yl)urea

1-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-(2-propan-2-yl-3H-benzimidazol-5-yl)urea (PubChem CID 72921115) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-(2-propan-2-yl-3H-benzimidazol-5-yl)urea.

Molecular Properties

Compound Name1-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-(2-propan-2-yl-3H-benzimidazol-5-yl)urea
PubChem CID72921115
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name1-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-(2-propan-2-yl-3H-benzimidazol-5-yl)urea
SMILESCc1cccnc1NCCNC(=O)Nc1ccc2nc(C(C)C)[nH]c2c1
InChIInChI=1S/C19H24N6O/c1-12(2)17-24-15-7-6-14(11-16(15)25-17)23-19(26)22-10-9-21-18-13(3)5-4-8-20-18/h4-8,11-12H,9-10H2,1-3H3,(H,20,21)(H,24,25)(H2,22,23,26)
InChIKeyPRZAFJNOPIYYTG-UHFFFAOYSA-N
XLogP3.62
TPSA94.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-propan-2-yl-3H-benzimidazol-5-yl)carbamoylamino]acetic acid
CID 98034048
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1-[2-(difluoromethyl)-3H-benzimidazol-5-yl]-3-[2-(4,5-dimethylimidazol-1-yl)ethyl]urea
CID 166313121
1-methyl-3-(2-methyl-3H-benzimidazol-5-yl)-1-[(2R)-1-(3-methyl-2-pyridinyl)propan-2-yl]urea
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(2R)-4-methyl-N-(2-propan-2-yl-3H-benzimidazol-5-yl)-2-pyrrol-1-ylpentanamide
CID 110205676
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1-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 125160293
1-[(2-methylphenyl)methyl]-3-[2-(1,3-thiazol-2-yl)-3H-benzimidazol-5-yl]urea
CID 91000697
2-(3,4-dimethylphenyl)-N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]acetamide
CID 131918595
N-[2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethyl]pyridine-2-carboxamide
CID 110796141
N-(1H-indazol-6-yl)-2-propan-2-yl-3H-benzimidazole-5-carboxamide
CID 110765672
3-(1,3-dioxoisoindol-2-yl)-N-(2-propan-2-yl-3H-benzimidazol-5-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-(2-propan-2-yl-3H-benzimidazol-5-yl)urea?
The IUPAC name of 1-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-(2-propan-2-yl-3H-benzimidazol-5-yl)urea (CID 72921115) is 1-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-(2-propan-2-yl-3H-benzimidazol-5-yl)urea.
What is the SMILES notation for 1-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-(2-propan-2-yl-3H-benzimidazol-5-yl)urea?
The canonical SMILES for 1-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-(2-propan-2-yl-3H-benzimidazol-5-yl)urea is Cc1cccnc1NCCNC(=O)Nc1ccc2nc(C(C)C)[nH]c2c1.
What is the InChIKey of 1-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-(2-propan-2-yl-3H-benzimidazol-5-yl)urea?
The InChIKey is PRZAFJNOPIYYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c1-12(2)17-24-15-7-6-14(11-16(15)25-17)23-19(26)22-10-9-21-18-13(3)5-4-8-20-18/h4-8,11-12H,9-10H2,1-3H3,(H,20,21)(H,24,25)(H2,22,23,26).
What are the key properties of 1-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-(2-propan-2-yl-3H-benzimidazol-5-yl)urea?
1-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-(2-propan-2-yl-3H-benzimidazol-5-yl)urea has a molecular weight of 352.44 g/mol, XLogP of 3.62, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-3-(2-propan-2-yl-3H-benzimidazol-5-yl)urea is sourced from PubChem (CID 72921115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).