3-[[4-(6-amino-2-methylbenzimidazole-1-carbonyl)-2-pyridinyl]methyl]-1,1-dimethylurea

C18H20N6O2 — CID 112523740

IUPAC3-[[4-(6-amino-2-methylbenzimidazole-1-carbonyl)-2-pyridinyl]methyl]-1,1-dimethylurea
SMILESCc1nc2ccc(N)cc2n1C(=O)c1ccnc(CNC(=O)N(C)C)c1
InChIInChI=1S/C18H20N6O2/c1-11-22-15-5-4-13(19)9-16(15)24(11)17(25)12-6-7-20-14(8-12)10-21-18(26)23(2)3/h4-9H,10,19H2,1-3H3,(H,21,26)
InChIKeyKKVCSPSIBDAQSR-UHFFFAOYSA-N
MW352.40 g/mol
LogP1.78
Rot. Bonds3

About 3-[[4-(6-amino-2-methylbenzimidazole-1-carbonyl)-2-pyridinyl]methyl]-1,1-dimethylurea

3-[[4-(6-amino-2-methylbenzimidazole-1-carbonyl)-2-pyridinyl]methyl]-1,1-dimethylurea (PubChem CID 112523740) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 3-[[4-(6-amino-2-methylbenzimidazole-1-carbonyl)-2-pyridinyl]methyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[[4-(6-amino-2-methylbenzimidazole-1-carbonyl)-2-pyridinyl]methyl]-1,1-dimethylurea
PubChem CID112523740
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name3-[[4-(6-amino-2-methylbenzimidazole-1-carbonyl)-2-pyridinyl]methyl]-1,1-dimethylurea
SMILESCc1nc2ccc(N)cc2n1C(=O)c1ccnc(CNC(=O)N(C)C)c1
InChIInChI=1S/C18H20N6O2/c1-11-22-15-5-4-13(19)9-16(15)24(11)17(25)12-6-7-20-14(8-12)10-21-18(26)23(2)3/h4-9H,10,19H2,1-3H3,(H,21,26)
InChIKeyKKVCSPSIBDAQSR-UHFFFAOYSA-N
XLogP1.78
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(5-amino-2-methylindole-1-carbonyl)-2-pyridinyl]methyl]acetamide
CID 112526198
3-[[4-(7-amino-2-oxo-1,3-benzoxazole-3-carbonyl)-2-pyridinyl]methyl]-1,1-dimethylurea
CID 112522804
ethyl N-[[4-(5-amino-2-oxo-1,3-benzoxazole-3-carbonyl)-2-pyridinyl]methyl]carbamate
CID 112525915
3-[[4-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-pyridinyl]methyl]-1,1-dimethylurea
CID 112531945
N-[[4-(5-aminoindazole-1-carbonyl)-2-pyridinyl]methyl]acetamide
CID 112527276
N-[2-(dimethylamino)ethyl]-2-[(dimethylcarbamoylamino)methyl]pyridine-4-carboxamide
CID 112520177
3-[[4-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]methyl]-1,1-dimethylurea
CID 112532223
2-[(dimethylcarbamoylamino)methyl]-N-(2-methylphenyl)pyridine-4-carboxamide
CID 112520469
methyl 1-[2-[(dimethylcarbamoylamino)methyl]pyridine-4-carbonyl]piperidine-3-carboxylate
CID 112531632
3-[[4-[3-(hydroxymethyl)morpholine-4-carbonyl]-2-pyridinyl]methyl]-1,1-dimethylurea
CID 112532014
(6-amino-2-methylbenzimidazol-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
CID 112523699
2-[(dimethylcarbamoylamino)methyl]-N-(1H-pyrazol-5-yl)pyridine-4-carboxamide
CID 112524647

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(6-amino-2-methylbenzimidazole-1-carbonyl)-2-pyridinyl]methyl]-1,1-dimethylurea?
The IUPAC name of 3-[[4-(6-amino-2-methylbenzimidazole-1-carbonyl)-2-pyridinyl]methyl]-1,1-dimethylurea (CID 112523740) is 3-[[4-(6-amino-2-methylbenzimidazole-1-carbonyl)-2-pyridinyl]methyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[[4-(6-amino-2-methylbenzimidazole-1-carbonyl)-2-pyridinyl]methyl]-1,1-dimethylurea?
The canonical SMILES for 3-[[4-(6-amino-2-methylbenzimidazole-1-carbonyl)-2-pyridinyl]methyl]-1,1-dimethylurea is Cc1nc2ccc(N)cc2n1C(=O)c1ccnc(CNC(=O)N(C)C)c1.
What is the InChIKey of 3-[[4-(6-amino-2-methylbenzimidazole-1-carbonyl)-2-pyridinyl]methyl]-1,1-dimethylurea?
The InChIKey is KKVCSPSIBDAQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-11-22-15-5-4-13(19)9-16(15)24(11)17(25)12-6-7-20-14(8-12)10-21-18(26)23(2)3/h4-9H,10,19H2,1-3H3,(H,21,26).
What are the key properties of 3-[[4-(6-amino-2-methylbenzimidazole-1-carbonyl)-2-pyridinyl]methyl]-1,1-dimethylurea?
3-[[4-(6-amino-2-methylbenzimidazole-1-carbonyl)-2-pyridinyl]methyl]-1,1-dimethylurea has a molecular weight of 352.40 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(6-amino-2-methylbenzimidazole-1-carbonyl)-2-pyridinyl]methyl]-1,1-dimethylurea is sourced from PubChem (CID 112523740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).