2-(cyclopropylmethoxy)-4-methoxy-N-[(5-methoxy-1-methylbenzimidazol-2-yl)methyl]benzamide

C22H25N3O4 — CID 119045470

IUPAC2-(cyclopropylmethoxy)-4-methoxy-N-[(5-methoxy-1-methylbenzimidazol-2-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2nc3cc(OC)ccc3n2C)c(OCC2CC2)c1
InChIInChI=1S/C22H25N3O4/c1-25-19-9-7-15(27-2)10-18(19)24-21(25)12-23-22(26)17-8-6-16(28-3)11-20(17)29-13-14-4-5-14/h6-11,14H,4-5,12-13H2,1-3H3,(H,23,26)
InChIKeyBQNBHYMKNCSRRK-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.31
Rot. Bonds8

About 2-(cyclopropylmethoxy)-4-methoxy-N-[(5-methoxy-1-methylbenzimidazol-2-yl)methyl]benzamide

2-(cyclopropylmethoxy)-4-methoxy-N-[(5-methoxy-1-methylbenzimidazol-2-yl)methyl]benzamide (PubChem CID 119045470) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-4-methoxy-N-[(5-methoxy-1-methylbenzimidazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-4-methoxy-N-[(5-methoxy-1-methylbenzimidazol-2-yl)methyl]benzamide
PubChem CID119045470
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name2-(cyclopropylmethoxy)-4-methoxy-N-[(5-methoxy-1-methylbenzimidazol-2-yl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2nc3cc(OC)ccc3n2C)c(OCC2CC2)c1
InChIInChI=1S/C22H25N3O4/c1-25-19-9-7-15(27-2)10-18(19)24-21(25)12-23-22(26)17-8-6-16(28-3)11-20(17)29-13-14-4-5-14/h6-11,14H,4-5,12-13H2,1-3H3,(H,23,26)
InChIKeyBQNBHYMKNCSRRK-UHFFFAOYSA-N
XLogP3.31
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(cyclopropylmethoxy)-4-methoxy-N-[(5-methoxy-1-methylbenzimidazol-2-yl)methyl]benzamide with MolForge

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Related Compounds

2-(cyclopropylmethoxy)-N-[(2S)-2-hydroxy-3-piperidin-1-ylpropyl]-4-methoxybenzamide
CID 124853730
2-(5-methoxy-1-methylbenzimidazol-2-yl)acetic acid
CID 82334255
2-[[2-(cyclopropylmethoxy)-4-methoxybenzoyl]amino]hexanoic acid
CID 120689881
2-[3-[[2-(cyclopropylmethoxy)-4-methoxybenzoyl]amino]phenyl]acetic acid
CID 120688418
N-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]-2-methoxybenzamide
CID 110786150
3-[[2-(cyclopropylmethoxy)-4-methoxybenzoyl]amino]-4-methylbenzoic acid
CID 120686897
2,4-dimethoxy-N-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzamide
CID 46290657
2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 110773369
N-[(2,5-dimethylpyrazol-3-yl)methyl]-2,4-dimethoxybenzamide
CID 19294375
N-[(1,5-dimethylpyrazol-3-yl)methyl]-2,4-dimethoxybenzamide
CID 19329060
2,4-dimethoxy-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 38533824
2,4-dimethoxy-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 55735719

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-4-methoxy-N-[(5-methoxy-1-methylbenzimidazol-2-yl)methyl]benzamide?
The IUPAC name of 2-(cyclopropylmethoxy)-4-methoxy-N-[(5-methoxy-1-methylbenzimidazol-2-yl)methyl]benzamide (CID 119045470) is 2-(cyclopropylmethoxy)-4-methoxy-N-[(5-methoxy-1-methylbenzimidazol-2-yl)methyl]benzamide.
What is the SMILES notation for 2-(cyclopropylmethoxy)-4-methoxy-N-[(5-methoxy-1-methylbenzimidazol-2-yl)methyl]benzamide?
The canonical SMILES for 2-(cyclopropylmethoxy)-4-methoxy-N-[(5-methoxy-1-methylbenzimidazol-2-yl)methyl]benzamide is COc1ccc(C(=O)NCc2nc3cc(OC)ccc3n2C)c(OCC2CC2)c1.
What is the InChIKey of 2-(cyclopropylmethoxy)-4-methoxy-N-[(5-methoxy-1-methylbenzimidazol-2-yl)methyl]benzamide?
The InChIKey is BQNBHYMKNCSRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-25-19-9-7-15(27-2)10-18(19)24-21(25)12-23-22(26)17-8-6-16(28-3)11-20(17)29-13-14-4-5-14/h6-11,14H,4-5,12-13H2,1-3H3,(H,23,26).
What are the key properties of 2-(cyclopropylmethoxy)-4-methoxy-N-[(5-methoxy-1-methylbenzimidazol-2-yl)methyl]benzamide?
2-(cyclopropylmethoxy)-4-methoxy-N-[(5-methoxy-1-methylbenzimidazol-2-yl)methyl]benzamide has a molecular weight of 395.46 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-4-methoxy-N-[(5-methoxy-1-methylbenzimidazol-2-yl)methyl]benzamide is sourced from PubChem (CID 119045470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).