8-methoxy-1-propan-2-yl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole

C14H19N3O — CID 3061651

IUPAC8-methoxy-1-propan-2-yl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole
SMILESCOc1ccc2c(c1)nc1n2CCCN1C(C)C
InChIInChI=1S/C14H19N3O/c1-10(2)16-7-4-8-17-13-6-5-11(18-3)9-12(13)15-14(16)17/h5-6,9-10H,4,7-8H2,1-3H3
InChIKeyAOVXNHOGZYRFDB-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.66
Rot. Bonds2

About 8-methoxy-1-propan-2-yl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole

8-methoxy-1-propan-2-yl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole (PubChem CID 3061651) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 8-methoxy-1-propan-2-yl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole.

Molecular Properties

Compound Name8-methoxy-1-propan-2-yl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole
PubChem CID3061651
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name8-methoxy-1-propan-2-yl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole
SMILESCOc1ccc2c(c1)nc1n2CCCN1C(C)C
InChIInChI=1S/C14H19N3O/c1-10(2)16-7-4-8-17-13-6-5-11(18-3)9-12(13)15-14(16)17/h5-6,9-10H,4,7-8H2,1-3H3
InChIKeyAOVXNHOGZYRFDB-UHFFFAOYSA-N
XLogP2.66
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(5-methoxy-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 83858310
N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-oxo-2-propan-2-yl-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide
CID 95097028
2-[1-(azetidin-3-yl)ethyl]-5-methoxy-1-propan-2-ylbenzimidazole
CID 116682170
2-chloro-5-methoxy-1-methylbenzimidazole
CID 45078585
2-(difluoromethyl)-5-methoxy-1-methylbenzimidazole
CID 145162362
5-methoxy-1-methyl-2-(3-propan-2-ylpyrrolidin-3-yl)benzimidazole
CID 106983270
2-chloro-5-methoxy-1-(6-propan-2-yl-3-pyridinyl)benzimidazole
CID 168729104
[5-methoxy-1-(2-methylpropyl)benzimidazol-2-yl]methanamine
CID 82334328
2-bromo-1-cyclobutyl-5-methoxybenzimidazole
CID 84812045
5-methoxy-1-(2-methylpropyl)-2-(piperazin-1-ylmethyl)benzimidazole
CID 83967757
[5-methoxy-1-(1-phenylethyl)benzimidazol-2-yl]methanamine
CID 82334325
5-(5-methoxy-1-propan-2-ylbenzimidazol-2-yl)pentan-2-amine
CID 82847019

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-1-propan-2-yl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole?
The IUPAC name of 8-methoxy-1-propan-2-yl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole (CID 3061651) is 8-methoxy-1-propan-2-yl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole.
What is the SMILES notation for 8-methoxy-1-propan-2-yl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole?
The canonical SMILES for 8-methoxy-1-propan-2-yl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole is COc1ccc2c(c1)nc1n2CCCN1C(C)C.
What is the InChIKey of 8-methoxy-1-propan-2-yl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole?
The InChIKey is AOVXNHOGZYRFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10(2)16-7-4-8-17-13-6-5-11(18-3)9-12(13)15-14(16)17/h5-6,9-10H,4,7-8H2,1-3H3.
What are the key properties of 8-methoxy-1-propan-2-yl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole?
8-methoxy-1-propan-2-yl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole has a molecular weight of 245.33 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-1-propan-2-yl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole is sourced from PubChem (CID 3061651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).