2,6-dimethyl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]pyrimidine-4-carboxamide

C18H21N5O — CID 131901796

IUPAC2,6-dimethyl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCc2nc3ccccc3n2C(C)C)nc(C)n1
InChIInChI=1S/C18H21N5O/c1-11(2)23-16-8-6-5-7-14(16)22-17(23)10-19-18(24)15-9-12(3)20-13(4)21-15/h5-9,11H,10H2,1-4H3,(H,19,24)
InChIKeyOFWVLWUBEQGXTI-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.95
Rot. Bonds4

About 2,6-dimethyl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]pyrimidine-4-carboxamide

2,6-dimethyl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]pyrimidine-4-carboxamide (PubChem CID 131901796) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 2,6-dimethyl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2,6-dimethyl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]pyrimidine-4-carboxamide
PubChem CID131901796
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name2,6-dimethyl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCc2nc3ccccc3n2C(C)C)nc(C)n1
InChIInChI=1S/C18H21N5O/c1-11(2)23-16-8-6-5-7-14(16)22-17(23)10-19-18(24)15-9-12(3)20-13(4)21-15/h5-9,11H,10H2,1-4H3,(H,19,24)
InChIKeyOFWVLWUBEQGXTI-UHFFFAOYSA-N
XLogP2.95
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]benzamide
CID 4106595
2-morpholin-4-yl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]benzamide
CID 86285259
N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]aniline
CID 60835044
N-[(2-methoxyphenyl)methyl]-2,6-dimethylpyrimidine-4-carboxamide
CID 110851542
2-(2-aminoethyl)-N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120647020
2-(4-hydroxypiperidin-1-yl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide
CID 77094843
5-(4-methoxyphenyl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-1H-pyrazole-4-carboxamide
CID 91638920
N-[[1-(3-oxobutan-2-yl)benzimidazol-2-yl]methyl]prop-2-enamide
CID 16972351
3-(hydroxymethyl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]pyrrolidine-1-carboxamide
CID 131946837
4-chloro-N-[[1-(3-oxobutan-2-yl)benzimidazol-2-yl]methyl]benzamide
CID 17009138
2-[(1-propan-2-ylbenzimidazol-2-yl)methoxy]acetic acid
CID 61329129
4-(aminomethyl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]oxane-4-carboxamide
CID 120942051

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 2,6-dimethyl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]pyrimidine-4-carboxamide (CID 131901796) is 2,6-dimethyl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2,6-dimethyl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2,6-dimethyl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]pyrimidine-4-carboxamide is Cc1cc(C(=O)NCc2nc3ccccc3n2C(C)C)nc(C)n1.
What is the InChIKey of 2,6-dimethyl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]pyrimidine-4-carboxamide?
The InChIKey is OFWVLWUBEQGXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-11(2)23-16-8-6-5-7-14(16)22-17(23)10-19-18(24)15-9-12(3)20-13(4)21-15/h5-9,11H,10H2,1-4H3,(H,19,24).
What are the key properties of 2,6-dimethyl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]pyrimidine-4-carboxamide?
2,6-dimethyl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]pyrimidine-4-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 131901796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).