(5-methyl-2-pyridin-3-yl-1H-imidazol-4-yl)-phenylmethanone

C16H13N3O — CID 13387926

IUPAC(5-methyl-2-pyridin-3-yl-1H-imidazol-4-yl)-phenylmethanone
SMILESCc1[nH]c(-c2cccnc2)nc1C(=O)c1ccccc1
InChIInChI=1S/C16H13N3O/c1-11-14(15(20)12-6-3-2-4-7-12)19-16(18-11)13-8-5-9-17-10-13/h2-10H,1H3,(H,18,19)
InChIKeyIKLGDEARRLDULK-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.01
Rot. Bonds3

About (5-methyl-2-pyridin-3-yl-1H-imidazol-4-yl)-phenylmethanone

(5-methyl-2-pyridin-3-yl-1H-imidazol-4-yl)-phenylmethanone (PubChem CID 13387926) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is (5-methyl-2-pyridin-3-yl-1H-imidazol-4-yl)-phenylmethanone.

Molecular Properties

Compound Name(5-methyl-2-pyridin-3-yl-1H-imidazol-4-yl)-phenylmethanone
PubChem CID13387926
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name(5-methyl-2-pyridin-3-yl-1H-imidazol-4-yl)-phenylmethanone
SMILESCc1[nH]c(-c2cccnc2)nc1C(=O)c1ccccc1
InChIInChI=1S/C16H13N3O/c1-11-14(15(20)12-6-3-2-4-7-12)19-16(18-11)13-8-5-9-17-10-13/h2-10H,1H3,(H,18,19)
InChIKeyIKLGDEARRLDULK-UHFFFAOYSA-N
XLogP3.01
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1H-imidazol-4-yl)(phenyl)methanone
CID 556113
KF 17625
CID 126487
FR-79620
CID 10421577
(2-Amino-6-(2,6-Difluoro-Benzoyl)-Imidazo(1,2-a)Pyridin-3-Yl)-Phenyl-Methanone
CID 5289179
Deoxytopsentin
CID 183527
2-anilino-4-(1H-pyrrol-3-yl) pyrimidine deriv. 8i
CID 6539313
Meriolin 2
CID 24801699
5-(2-Amino-pyrimidin-4-yl)-2-phenyl-1H-pyrrole-3-carboxamide
CID 24809764
5-{[(2s)-2-Aminopropyl]amino}-3-(1h-Indol-2-Yl)pyrazine-2-Carboxamide
CID 118368188
6-[2-((E)-Styryl)-pyridin-4-yl]-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one
CID 135441367
2-Amino-6-[2-((E)-styryl)-pyridin-4-yl]-3,7-dihydro-pyrrolo[2,3-d]pyrimidin-4-one
CID 135524106
Pyrrolo-pyrimidone, 12
CID 135524115

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-pyridin-3-yl-1H-imidazol-4-yl)-phenylmethanone?
The IUPAC name of (5-methyl-2-pyridin-3-yl-1H-imidazol-4-yl)-phenylmethanone (CID 13387926) is (5-methyl-2-pyridin-3-yl-1H-imidazol-4-yl)-phenylmethanone.
What is the SMILES notation for (5-methyl-2-pyridin-3-yl-1H-imidazol-4-yl)-phenylmethanone?
The canonical SMILES for (5-methyl-2-pyridin-3-yl-1H-imidazol-4-yl)-phenylmethanone is Cc1[nH]c(-c2cccnc2)nc1C(=O)c1ccccc1.
What is the InChIKey of (5-methyl-2-pyridin-3-yl-1H-imidazol-4-yl)-phenylmethanone?
The InChIKey is IKLGDEARRLDULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c1-11-14(15(20)12-6-3-2-4-7-12)19-16(18-11)13-8-5-9-17-10-13/h2-10H,1H3,(H,18,19).
What are the key properties of (5-methyl-2-pyridin-3-yl-1H-imidazol-4-yl)-phenylmethanone?
(5-methyl-2-pyridin-3-yl-1H-imidazol-4-yl)-phenylmethanone has a molecular weight of 263.30 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-pyridin-3-yl-1H-imidazol-4-yl)-phenylmethanone is sourced from PubChem (CID 13387926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).