methyl N-[5-methoxy-6-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]carbamate

C19H18N6O3 — CID 10362265

IUPACmethyl N-[5-methoxy-6-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]carbamate
SMILESCOC(=O)Nc1nc2cc(OC)c(-c3nc(-c4cccnc4)c(C)[nH]3)cc2[nH]1
InChIInChI=1S/C19H18N6O3/c1-10-16(11-5-4-6-20-9-11)24-17(21-10)12-7-13-14(8-15(12)27-2)23-18(22-13)25-19(26)28-3/h4-9H,1-3H3,(H,21,24)(H2,22,23,25,26)
InChIKeyGOTSCLRBZUWTPP-UHFFFAOYSA-N
MW378.39 g/mol
LogP3.51
Rot. Bonds4

About methyl N-[5-methoxy-6-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]carbamate

methyl N-[5-methoxy-6-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]carbamate (PubChem CID 10362265) has the molecular formula C19H18N6O3 and a molecular weight of 378.39 g/mol. Its IUPAC name is methyl N-[5-methoxy-6-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[5-methoxy-6-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]carbamate
PubChem CID10362265
Molecular FormulaC19H18N6O3
Molecular Weight378.39 g/mol
Exact Mass378.14
IUPAC Namemethyl N-[5-methoxy-6-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]carbamate
SMILESCOC(=O)Nc1nc2cc(OC)c(-c3nc(-c4cccnc4)c(C)[nH]3)cc2[nH]1
InChIInChI=1S/C19H18N6O3/c1-10-16(11-5-4-6-20-9-11)24-17(21-10)12-7-13-14(8-15(12)27-2)23-18(22-13)25-19(26)28-3/h4-9H,1-3H3,(H,21,24)(H2,22,23,25,26)
InChIKeyGOTSCLRBZUWTPP-UHFFFAOYSA-N
XLogP3.51
TPSA117.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-methoxy-4-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)phenyl]acetamide
CID 10064728
3-methoxy-4-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)aniline
CID 10016509
3-[2-(3-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]pyridine
CID 174519203
N-[[2-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)phenyl]carbamothioyl]benzamide
CID 14211423
N-[5-methyl-4-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)-2-nitrophenyl]acetamide
CID 10360581
methyl N-[6-[4-(pyridine-3-carbonylamino)phenyl]sulfanyl-1H-benzimidazol-2-yl]carbamate
CID 11750480
N-[2-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)phenyl]methanesulfonamide
CID 10314435
N-[2-amino-4-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)phenyl]acetamide
CID 10402952
3-(2,5-dimethoxy-4-pyridin-3-ylphenyl)pyridine
CID 156631933
2-(methoxycarbonylamino)-3H-benzimidazole-5-carboxylic acid
CID 13043986
3-[5-methyl-2-(2-propan-2-ylphenyl)-1H-imidazol-4-yl]pyridine
CID 174532119
5,6-dimethoxy-N-(pyridin-3-ylmethyl)-1H-benzimidazol-2-amine
CID 82563006

Frequently Asked Questions

What is the IUPAC name of methyl N-[5-methoxy-6-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]carbamate?
The IUPAC name of methyl N-[5-methoxy-6-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]carbamate (CID 10362265) is methyl N-[5-methoxy-6-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]carbamate.
What is the SMILES notation for methyl N-[5-methoxy-6-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]carbamate?
The canonical SMILES for methyl N-[5-methoxy-6-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]carbamate is COC(=O)Nc1nc2cc(OC)c(-c3nc(-c4cccnc4)c(C)[nH]3)cc2[nH]1.
What is the InChIKey of methyl N-[5-methoxy-6-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]carbamate?
The InChIKey is GOTSCLRBZUWTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O3/c1-10-16(11-5-4-6-20-9-11)24-17(21-10)12-7-13-14(8-15(12)27-2)23-18(22-13)25-19(26)28-3/h4-9H,1-3H3,(H,21,24)(H2,22,23,25,26).
What are the key properties of methyl N-[5-methoxy-6-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]carbamate?
methyl N-[5-methoxy-6-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]carbamate has a molecular weight of 378.39 g/mol, XLogP of 3.51, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[5-methoxy-6-(5-methyl-4-pyridin-3-yl-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]carbamate is sourced from PubChem (CID 10362265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).