N-(cyclopropylmethyl)-7-(2-phenylethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide

C20H26N4O — CID 134807137

IUPACN-(cyclopropylmethyl)-7-(2-phenylethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide
SMILESO=C(NCC1CC1)c1cnc2n1CCN(CCc1ccccc1)CC2
InChIInChI=1S/C20H26N4O/c25-20(22-14-17-6-7-17)18-15-21-19-9-11-23(12-13-24(18)19)10-8-16-4-2-1-3-5-16/h1-5,15,17H,6-14H2,(H,22,25)
InChIKeyIDRVYIUEUXOUSG-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.12
Rot. Bonds6

About N-(cyclopropylmethyl)-7-(2-phenylethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide

N-(cyclopropylmethyl)-7-(2-phenylethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide (PubChem CID 134807137) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-7-(2-phenylethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-7-(2-phenylethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide
PubChem CID134807137
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC NameN-(cyclopropylmethyl)-7-(2-phenylethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide
SMILESO=C(NCC1CC1)c1cnc2n1CCN(CCc1ccccc1)CC2
InChIInChI=1S/C20H26N4O/c25-20(22-14-17-6-7-17)18-15-21-19-9-11-23(12-13-24(18)19)10-8-16-4-2-1-3-5-16/h1-5,15,17H,6-14H2,(H,22,25)
InChIKeyIDRVYIUEUXOUSG-UHFFFAOYSA-N
XLogP2.12
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(cyclopropylmethyl)-7-(2-phenylethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide with MolForge

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Related Compounds

N'-cyclopentyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]oxamide
CID 16886913
2-fluoro-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzamide
CID 16895768
2-phenoxy-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]acetamide
CID 16895752
N-[(7-benzyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-3-yl)methyl]-2-cyclopropylacetamide
CID 97467187
N-benzyl-7-[(3-cyanophenyl)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide
CID 134806201
2-(cyclopropylmethylamino)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119838013
1-methyl-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]indazole-3-carboxamide;hydrochloride
CID 71462661
5-(6-methyl-3-pyridinyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-1H-indazole-3-carboxamide
CID 127037293
1-(3-methylbutyl)-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]indazole-3-carboxamide;hydrochloride
CID 71455509
2-(cyclopropylmethylamino)-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide;dihydrochloride
CID 119844580
methyl 4-(2-phenylethyl)piperazine-1-carboxylate
CID 1246166
(2S)-2-[[1-(2-phenylethyl)piperidin-4-yl]methylamino]propan-1-ol
CID 95130314

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-7-(2-phenylethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-7-(2-phenylethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide (CID 134807137) is N-(cyclopropylmethyl)-7-(2-phenylethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-7-(2-phenylethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-7-(2-phenylethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide is O=C(NCC1CC1)c1cnc2n1CCN(CCc1ccccc1)CC2.
What is the InChIKey of N-(cyclopropylmethyl)-7-(2-phenylethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide?
The InChIKey is IDRVYIUEUXOUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c25-20(22-14-17-6-7-17)18-15-21-19-9-11-23(12-13-24(18)19)10-8-16-4-2-1-3-5-16/h1-5,15,17H,6-14H2,(H,22,25).
What are the key properties of N-(cyclopropylmethyl)-7-(2-phenylethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide?
N-(cyclopropylmethyl)-7-(2-phenylethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-7-(2-phenylethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-3-carboxamide is sourced from PubChem (CID 134807137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).